Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ERN1 | O75460 | 1/20 | 0.36 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 2/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.35 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | FKBP1A | P62942 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6349873 | 0.92 | ERN1 (0.39) | ALDH1A1GAAMAPTHPGDRECQL | |
| SCHEMBL6351904 | 0.91 | CCR5 (0.39) | ALDH1A1GAAMAPTHPGDRECQL | |
| SCHEMBL6342973 | 0.91 | CCR5 (0.38) | ALDH1A1GAAMAPTHPGDRECQL | |
| SCHEMBL6342363 | 0.90 | RXRA (0.39) | ALDH1A1GAAHPGDNPC1RAB9A | |
| SCHEMBL6343395 | 0.89 | KDM4E (0.39) | ALDH1A1GAAMAPTHPGDKDM4E | |
| SCHEMBL6350067 | 0.88 | CCR5 (0.45) | CCR5ABCB1 | |
| SCHEMBL6351996 | 0.88 | CCR5 (0.33) | ALDH1A1GAAMAPTHPGDRECQL | |
| SCHEMBL6341329 | 0.87 | CCR5 (0.38) | MAPTHPGDRAB9ACCR5 | |
| SCHEMBL6344466 | 0.86 | PRKCZ (0.35) | ALDH1A1GAAMAPTHPGDRECQL | |
| SCHEMBL6339035 | 0.83 | MEN1 (0.51) | ALDH1A1GAAMAPTHPGDRECQL |
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 |