Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.39 |
| ▸ | CCR5 | P51681 | 7/20 | 0.37 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CASP1 | P29466 | 1/20 | 0.37 |
| ▸ | CASP7 | P55210 | 1/20 | 0.37 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CBFB | Q13951 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.37 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6351503 | 0.92 | ALDH1A1 (0.43) | ERN1CCR5ALDH1A1HPGDGAA | |
| SCHEMBL6350067 | 0.92 | CCR5 (0.45) | CCR5PLA2G2ATSHRABCB1ALPL | |
| SCHEMBL6351904 | 0.92 | CCR5 (0.39) | CCR5ALDH1A1HPGDGAACCR7 | |
| SCHEMBL6342973 | 0.91 | CCR5 (0.38) | CCR5ALDH1A1HPGDGAAALPL | |
| SCHEMBL6349978 | 0.90 | MPL (0.39) | ERN1CCR5ALDH1A1HPGDGAA | |
| SCHEMBL6351996 | 0.90 | CCR5 (0.33) | CCR5ALDH1A1HPGDGAAKDM4E | |
| SCHEMBL6341329 | 0.89 | CCR5 (0.38) | CCR5HPGDCCR7CCR2MAPT | |
| SCHEMBL3458669 | 0.86 | CCR5 (0.49) | CCR5ALPLCCR7CCR2MAPT | |
| SCHEMBL3458663 | 0.86 | CCR5 (0.49) | CCR5ALPLCCR7CCR2MAPT | |
| SCHEMBL6341045 | 0.83 | MEN1 (0.43) | CCR5PLA2G2AALDH1A1HPGDGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6936602-B1 | Benzazepine derivatives, process for the preparation of the same and uses thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2005-08-30 | — | — | US | disclosed |
| EP-1186604-A1 | BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2002-03-13 | — | — | EP | disclosed |