Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ACKR3 | P25106 | 3/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6422095 | 0.95 | CCR5 (0.42) | CCR5MAPTACKR3EPHX2ALOX15 | |
| SCHEMBL7968867 | 0.88 | HRH2 (0.46) | MAPT | |
| SCHEMBL7842690 | 0.84 | OPRM1 (0.45) | MAPT | |
| SCHEMBL8315664 | 0.84 | HRH2 (0.46) | MAPT | |
| SCHEMBL6423231 | 0.83 | KMT2A (0.51) | MAPTTSHR | |
| SCHEMBL4630124 | 0.81 | TSHR (0.50) | CCR5MAPTALOX15TSHRATM | |
| SCHEMBL8364745 | 0.80 | TSHR (0.52) | CCR5MAPTEPHX2ALOX15TSHR | |
| SCHEMBL6421573 | 0.80 | TLR8 (0.47) | MAPTACKR3TSHR | |
| SCHEMBL6421681 | 0.79 | OPRM1 (0.46) | MAPTALOX15 | |
| SCHEMBL4631302 | 0.78 | ALDH1A1 (0.60) | CCR5EPHX2ALOX15TSHRATM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1077942-B1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMA INC (US) | 2005-01-12 | — | — | EP | disclosed |
| US-6316445-B1 | TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. | 2001-11-13 | — | — | US | disclosed |
| EP-0946545-B1 | NOVEL CARBOXY SUBSTITUTED CYCLIC CARBOXAMIDE DERIVATIVES | AVENTIS PHARMA INC (US) | 2001-09-05 | — | — | EP | disclosed |
| EP-1077942-A1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | Aventis Pharmaceuticals Inc. (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999059972-A1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 1999-11-25 | — | — | WO | disclosed |
| US-5977139-A | Carboxysubstituted cyclic carboxamide derivatives | HOECHST MARION ROUSSEL, INC. (US) | 1999-11-02 | — | — | US | disclosed |
| EP-0946545-A1 | NOVEL CARBOXY SUBSTITUTED CYCLIC CARBOXAMIDE DERIVATIVES | HOECHST MARION ROUSSEL, INC. (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998027085-A1 | NOVEL CARBOXY SUBSTITUTED CYCLIC CARBOXAMIDE DERIVATIVES | HOECHST MARION ROUSSEL, INC. (US) | 1998-06-25 | — | — | WO | disclosed |