Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 2/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | AGXT | P21549 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.37 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.37 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31473816 | 0.81 | IDO1 (0.55) | CYP19A1CYP2A6IDO1USP2PIM1 | |
| SCHEMBL14265167 | 0.81 | IDO1 (0.55) | CYP19A1CYP2A6IDO1USP2PIM1 | |
| SCHEMBL18536343 | 0.80 | AGXT (0.60) | ALDH1A1AGXT | |
| SCHEMBL7931595 | 0.79 | HDAC6 (0.38) | IDO1MAOAHDAC3HDAC1HDAC2 | |
| SCHEMBL6301307 | 0.79 | CYP19A1 (0.49) | CYP19A1CYP2A6USP2PIM1MAOA | |
| SCHEMBL6300586 | 0.79 | CYP19A1 (0.51) | CYP19A1CYP2A6USP2PIM1MAOA | |
| SCHEMBL30317998 | 0.79 | CYP19A1 (0.51) | CYP19A1CYP2A6USP2PIM1MAOA | |
| SCHEMBL7931593 | 0.78 | MAOB (0.36) | MAOAAGXTCA12CA1CA2 | |
| SCHEMBL2333763 | 0.76 | CYP19A1 (0.47) | CYP19A1CYP2A6USP2PIM1MAOA | |
| SCHEMBL7469284 | 0.75 | ALOX15 (0.47) | CYP19A1CYP2A6USP2PIM1MAOA |
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 |