Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | HMGCR | P04035 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7115040 | 0.86 | HMGCR (0.50) | HMGCRCYP3A4USP2MAPK1SMN1; SMN2 | |
| SCHEMBL6312974 | 0.86 | CALM1 (0.57) | ALDH1A1CYP3A4CALM1 | |
| SCHEMBL27987105 | 0.84 | ALOX5 (0.56) | CA1CA2CYP3A4 | |
| SCHEMBL919069 | 0.83 | CYP1A1 (0.61) | CYP1A2ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL930954 | 0.83 | CYP1A1 (0.61) | CYP1A2ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL9145125 | 0.82 | CYP1A2 (0.46) | CYP1A2HMGCRALDH1A1CA1CA2 | |
| SCHEMBL12844405 | 0.82 | ACHE (0.50) | HMGCRALDH1A1PDE3BPDE3ACYP3A4 | |
| SCHEMBL6450693 | 0.82 | PTGS2 (0.37) | CYP1A2HMGCRALDH1A1PDE3BPDE3A | |
| SCHEMBL5185794 | 0.81 | ALDH1A1 (0.48) | CYP1A2ALDH1A1CA1CA2CA12 | |
| SCHEMBL918847 | 0.80 | PTGS2 (0.59) | HMGCRALDH1A1CA2PDE3BPDE3A |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080312164-A1 | ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2008-12-18 | — | — | US | disclosed |
| US-20070117797-A1 | Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2007-05-24 | — | — | US | disclosed |
| US-6057315-A | INHIBIT BACTERIAL SIGNAL TRANSDUCTION IN MAMMALS | WARNER-LAMBERTT COMPANY (US) | 2000-05-02 | — | — | US | disclosed |
| EP-0942912-A1 | ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1999-09-22 | — | — | EP | disclosed |
| WO-1998025932-A1 | ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1998-06-18 | — | — | WO | disclosed |
| US-4810792-A | HYPOTENSIVE AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1989-03-07 | — | — | US | disclosed |
| US-4788201-A | HYPOTENSIVE AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1988-11-29 | — | — | US | disclosed |
| EP-0275962-A2 | 3-Methylenespiro [benzofuran-piperidines], intermediates and a process for the preparation thereof, and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1988-07-27 | — | — | EP | 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-20070117797-A1 | Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity | CCR7, ACKR3, CCR2 | CYP1A2 2461/4885HMGCR 1519/4885ALDH1A1 1954/4885 |
| US-20080312164-A1 | ISOTHIOCYANATES AND GLUCOSINOLATE COMPOUNDS AND ANTI-TUMOR COMPOSITIONS CONTAINING SAME | GGCT, GSTK1, GCLC | CYP1A2 3345/4885HMGCR 1982/4885ALDH1A1 1045/4885 |
“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.