Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A1 | Q13285 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.56 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.56 |
| ▸ | RARB | P10826 | 2/20 | 0.53 |
| ▸ | LTA4H | P09960 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.51 |
| ▸ | PLA2G4B | P0C869 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7929523 | 0.98 | NR5A1 (0.55) | NR5A1LMNAMEN1USP2ALDH1A1 | |
| SCHEMBL6516509 | 0.94 | RARB (0.57) | NR5A1LMNAMEN1USP2ALDH1A1 | |
| SCHEMBL8216305 | 0.93 | NR5A1 (0.66) | NR5A1LMNARARBLTA4HTSHR | |
| SCHEMBL6740617 | 0.93 | NR5A1 (0.66) | NR5A1LMNARARBLTA4HTSHR | |
| SCHEMBL5599235 | 0.93 | NR5A1 (0.66) | NR5A1LMNARARBLTA4HTSHR | |
| SCHEMBL8215140 | 0.93 | NR5A1 (0.66) | NR5A1LMNARARBLTA4HTSHR | |
| SCHEMBL4800857 | 0.93 | NR5A1 (0.66) | NR5A1LMNARARBLTA4HTSHR | |
| SCHEMBL1102341 | 0.93 | NR5A1 (0.66) | NR5A1LMNARARBLTA4HTSHR | |
| SCHEMBL917687 | 0.93 | NR5A1 (0.66) | NR5A1LMNARARBLTA4HTSHR | |
| SCHEMBL7474073 | 0.93 | NR5A1 (0.66) | NR5A1LMNARARBLTA4HTSHR |
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 |