Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RARB | P10826 | 2/20 | 0.43 |
| ▸ | RARA | P10276 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | NSD3 | Q9BZ95 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | NCF1 | P14598 | 6/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL9931761 | 0.90 | NSD2 (0.45) | MAPK1NSD2NSD3SMN1; SMN2NPC1 | |
| SCHEMBL2482331 | 0.86 | NSD2 (0.45) | RARBRARATSHRNSD2NSD3 | |
| SCHEMBL28270199 | 0.83 | NR5A1 (0.47) | TSHRNSD2NSD3 | |
| SCHEMBL21114062 | 0.83 | KDM4E (0.41) | RARBRARATSHRMAPK1KDM4E | |
| SCHEMBL8731575 | 0.82 | NR5A1 (0.50) | TSHRMAPK1KDM4ETDP1MAPT | |
| SCHEMBL7931164 | 0.82 | SMN1; SMN2 (0.44) | TSHRMAPK1KDM4ETDP1SMN1; SMN2 | |
| SCHEMBL6660968 | 0.82 | NR5A1 (0.50) | TSHRMAPK1KDM4ETDP1MAPT | |
| SCHEMBL9698432 | 0.82 | NR5A1 (0.50) | TSHRMAPK1KDM4ETDP1MAPT | |
| SCHEMBL8216480 | 0.82 | NR5A1 (0.50) | TSHRMAPK1KDM4ETDP1MAPT | |
| SCHEMBL8751857 | 0.82 | NR5A1 (0.50) | TSHRMAPK1KDM4ETDP1MAPT |
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 |