Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.47 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.47 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.47 |
| ▸ | ALB | P02768 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.47 |
| ▸ | RARB | P10826 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.47 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12639935 | 1.00 | TBXAS1 (0.51) | TBXAS1CYP1A2CYP2D6PTGS1PTGS2 | |
| SCHEMBL9910745 | 1.00 | TBXAS1 (0.51) | TBXAS1CYP1A2CYP2D6PTGS1PTGS2 | |
| SCHEMBL11237591 | 0.89 | TBXAS1 (0.59) | TBXAS1CYP1A2PTGS1PTGS2LMNA | |
| SCHEMBL14019341 | 0.84 | CYP1A2 (0.48) | CYP1A2CYP2D6PTGS1PTGS2LMNA | |
| SCHEMBL19553694 | 0.83 | PTGS1 (0.66) | TBXAS1PTGS1PTGS2LMNACYP2C9 | |
| SCHEMBL933832 | 0.82 | EPHX1 (0.49) | CYP1A2CYP2D6PTGS1PTGS2LMNA | |
| SCHEMBL284670 | 0.82 | SLC7A5 (0.60) | TBXAS1PTGS1PTGS2LMNACYP2C9 | |
| SCHEMBL1410416 | 0.82 | TBXAS1 (0.53) | TBXAS1PTGS1PTGS2LMNACYP2C9 | |
| SCHEMBL10081972 | 0.82 | TBXAS1 (0.53) | TBXAS1PTGS1PTGS2LMNACYP2C9 | |
| SCHEMBL11996333 | 0.82 | TBXAS1 (0.53) | TBXAS1PTGS1PTGS2LMNACYP2C9 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0597088-B1 | NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS | INST NAT SANTE RECH MED (FR) | 2000-12-06 | — | — | EP | claimed |
| EP-2614054-B1 | ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2014-11-19 | — | — | EP | disclosed |
| EP-2614054-B1 | ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2014-11-19 | — | — | EP | disclosed |
| US-8877754-B2 | Compounds, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-04 | — | — | US | disclosed |
| US-8877754-B2 | Compounds, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-04 | — | — | US | disclosed |
| US-8877754-B2 | Compounds, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-04 | — | — | US | disclosed |
| US-8492345-B2 | Cyclic peptide antitumor agents | NORTHWESTERN UNIVERSITY (US) | 2013-07-23 | — | — | US | disclosed |
| EP-2614054-A1 | ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | Boehringer Ingelheim International GmbH (DE) | 2013-07-17 | — | — | EP | disclosed |
| US-20120214782-A1 | New compounds, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-08-23 | — | — | US | disclosed |
| US-20120214782-A1 | New compounds, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-08-23 | — | — | US | disclosed |
| US-20120214782-A1 | New compounds, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-08-23 | — | — | US | disclosed |
| US-20120122799-A1 | CYCLIC PEPTIDE ANTITUMOR AGENTS | NORTHWESTERN UNIVERSITY (US) | 2012-05-17 | — | — | US | disclosed |
| WO-2012032014-A1 | ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-03-15 | — | — | WO | disclosed |
| WO-2012032014-A1 | ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-03-15 | — | — | WO | disclosed |
| US-7196214-B2 | Process for arylamine production | XEROX CORPORATION (US) | 2007-03-27 | — | — | US | disclosed |
| US-20060111582-A1 | Process for arylamine production | XEROX CORPORATION (US) | 2006-05-25 | — | — | US | disclosed |
| WO-2000039055-A1 | RAPID PURIFICATION BY POLYAROMATIC QUENCH REAGENTS | WARNER-LAMBERT COMPANY (US) | 2000-07-06 | — | — | WO | 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 (3 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-20120122799-A1 | CYCLIC PEPTIDE ANTITUMOR AGENTS | VIP, IAPP, NGLY1 | TBXAS1 2533/4885CYP1A2 4882/4885CYP2D6 4842/4885 |
| US-20060111582-A1 | Process for arylamine production | AOC2, UFM1, TYR | TBXAS1 1629/4885CYP1A2 188/4885CYP2D6 901/4885 |
| US-20120214782-A1 | New compounds, pharmaceutical compositions and uses thereof | ABCG2, PGA5, PDE6G | TBXAS1 878/4885CYP1A2 373/4885CYP2D6 54/4885 |
“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.