Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 2/20 | 0.38 |
| ▸ | RARA | P10276 | 8/20 | 0.37 |
| ▸ | RARB | P10826 | 8/20 | 0.37 |
| ▸ | RARG | P13631 | 8/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | STS | P08842 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.35 |
| ▸ | CRABP2 | P29373 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ACACB | O00763 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17276324 | 0.89 | PDK2 (0.40) | PDK2CYP3A4HPGDRECQLSTS | |
| SCHEMBL6239862 | 0.86 | RARA (0.49) | PDK2RARARARBRARGCYP3A4 | |
| SCHEMBL6590616 | 0.84 | CYP3A4 (0.35) | PDK2RARARARBRARGCYP3A4 | |
| SCHEMBL1140980 | 0.84 | RARA (0.39) | PDK2RARARARBRARGCYP3A4 | |
| SCHEMBL7637313 | 0.80 | RARA (0.43) | PDK2RARARARBRARGCYP3A4 | |
| SCHEMBL6592969 | 0.78 | NPC1 (0.36) | PDK2RARARARBRARGCYP3A4 | |
| SCHEMBL8771676 | 0.77 | PDK2 (0.47) | PDK2HPGDSTSSMN1; SMN2KDM4E | |
| SCHEMBL6591282 | 0.77 | MAPT (0.34) | PDK2RARARARBRARGCYP3A4 | |
| SCHEMBL17275602 | 0.76 | PDK2 (0.37) | PDK2HPGDSMN1; SMN2ACHEKDM4E | |
| SCHEMBL7131831 | 0.76 | RARA (0.36) | PDK2RARARARBRARGCYP3A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6942980-B1 | Methods of identifying compounds having nuclear receptor negative hormone and/or antagonist activities | ALLERGAN, INC. (US) | 2005-09-13 | — | — | US | disclosed |
| EP-1535919-A2 | Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities | Allergan, Inc. (US) | 2005-06-01 | — | — | EP | disclosed |
| EP-1042313-B1 | BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST LIKE ACTIVITY | ALLERGAN INC (US) | 2004-04-28 | — | — | EP | disclosed |
| US-20030219832-A1 | Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities | KLEIN ELLIOTT S (US) | 2003-11-27 | — | — | US | disclosed |
| EP-0931786-B1 | Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities | ALLERGAN INC (US) | 2003-08-06 | — | — | EP | disclosed |
| EP-0853610-B1 | SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES | ALLERGAN SALES INC (US) | 2003-03-05 | — | — | EP | disclosed |
| US-6521624-B1 | Prevention or amelioration of toxicity or undesired side effect caused by a retinoid compound | ALLERGAN, INC. | 2003-02-18 | — | — | US | disclosed |
| US-20020156054-A1 | Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities | ALLERGAN, INC. | 2002-10-24 | — | — | US | disclosed |
| US-6469028-B1 | ARYL-SUBSTITUTED AND ARYL AND (3-OXO-1-PROPENLY)-SUBSTITUTED BENZOPYRAN, BENZOTHIOPYRAN, 1,2-DIHYDROQUINOLINE, AND 5,6-DIHYDRONAPHTHALENE DERIVATIVES | ALLERGAN, INC. | 2002-10-22 | — | — | US | disclosed |
| US-6228848-B1 | 3-(1-PROPEN-3-OXO)-5,6-DIHYDRONAPHTHALENE DERIVATIVES; SIDE EFFECT REDUCTION | ALLERGAN, INC. | 2001-05-08 | — | — | US | disclosed |
| EP-1042313-A1 | BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST LIKE ACTIVITY | Allergan Sales, Inc. (US) | 2000-10-11 | — | — | EP | disclosed |
| US-6090810-A | SIDE EFFECT REDUCTION | ALLERGAN SALES, INC. (US) | 2000-07-18 | — | — | US | disclosed |
| EP-0991636-A1 | SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES | Allergan Sales, Inc. (US) | 2000-04-12 | — | — | EP | disclosed |
| US-6008204-A | ANTIDOTES FOR PREVENTING CERTAIN UNDESIRED SIDE EFFECTS OF RETINOIDS | ALLERGAN SALES, INC. (US) | 1999-12-28 | — | — | US | disclosed |
| US-5958954-A | 2,2-DIALKYL-4-ARYL-SUBSTITUTED BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES | ALLERGAN SALES, INC. (US) | 1999-09-28 | — | — | US | disclosed |
| US-5952345-A | RETINOID ACID RECEPTOR ANTAGONIST; A DERIVATIVES OF ARYL-SUBSTITUTED AND ARYL (3-OXO-1-PROPENLY)-SUBSTITUTED BENZOPYRAN, BENZOTHIOPYRAN, 1,2-DIHYDROQUINOLINE; PREVENTING TOXICITY OR SIDE EFFECTS CAUSED BY RETINOIDS OR VITAMIN A | ALLERGAN SALES, INC. (US) | 1999-09-14 | — | — | US | disclosed |
| EP-0931786-A2 | Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities | Vision Pharmaceuticals L.P. (US) | 1999-07-28 | — | — | EP | disclosed |
| WO-1999033821-A1 | BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST-LIKE ACTIVITY | ALLERGAN SALES, INC. (US) | 1999-07-08 | — | — | WO | disclosed |
| WO-1998058922-A1 | SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES | ALLERGAN SALES, INC. (US) | 1998-12-30 | — | — | WO | disclosed |
| US-5776699-A | MEASURING GENE EXPRESSION | ALLERGAN, INC. (US) | 1998-07-07 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030219832-A1 | Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities | RXRA, RARA, RXRG | PDK2 2512/4885RARA 2/4885RARB 7/4885 |
| US-20020156054-A1 | Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities | RXRA, RARA, RXRG | PDK2 2512/4885RARA 2/4885RARB 7/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.