Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 3/20 | 0.46 |
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | BRCA1 | P38398 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7929558 | 0.88 | AR (0.44) | ARMAOBNPC1RAB9AHSD17B10 | |
| SCHEMBL7929492 | 0.88 | ALDH1A1 (0.47) | ARMAOBNPC1RAB9AHSD17B10 | |
| SCHEMBL23715944 | 0.79 | AR (0.45) | ARMAOBNPC1RAB9AHSD17B10 | |
| SCHEMBL6343598 | 0.79 | NQO1 (0.44) | HSD17B10ALDH1A1HPGDMAPTKDM4E | |
| SCHEMBL11843714 | 0.79 | MAOB (0.59) | ARMAOBNPC1RAB9AHSD17B10 | |
| SCHEMBL23716174 | 0.78 | AR (0.44) | ARMAOBNPC1RAB9AHSD17B10 | |
| SCHEMBL5901307 | 0.77 | MAOB (0.48) | ARMAOBNPC1RAB9AHSD17B10 | |
| SCHEMBL4694901 | 0.76 | AR (0.57) | ARRAB9AXDHALDH1A1HPGD | |
| SCHEMBL4673630 | 0.76 | KDM4E (0.51) | ARMAOBNPC1RAB9AHSD17B10 | |
| SCHEMBL7929493 | 0.76 | ALDH1A1 (0.48) | ARMAOBNPC1RAB9AHSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140896-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | Takeda Chemical Industries, Ltd. (JP) | 2001-10-10 | — | — | EP | disclosed |
| US-6235771-B1 | AIDS THERPAY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-05-22 | — | — | US | disclosed |
| WO-2000037455-A1 | BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-06-29 | — | — | WO | disclosed |