Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR5A1 | Q13285 | 1/20 | 0.53 |
| ▸ | RARB | P10826 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.52 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.52 |
| ▸ | LTA4H | P09960 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | PLA2G4B | P0C869 | 3/20 | 0.46 |
| ▸ | RARA | P10276 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7929638 | 0.98 | NR5A1 (0.56) | NR5A1RARBLMNAMEN1USP2 | |
| SCHEMBL3157088 | 0.97 | RARB (0.55) | NR5A1RARBLMNAMEN1USP2 | |
| SCHEMBL29261748 | 0.92 | NR5A1 (0.61) | NR5A1RARBLMNALTA4HTSHR | |
| SCHEMBL29658410 | 0.90 | NR5A1 (0.65) | NR5A1RARBLMNALTA4HTSHR | |
| SCHEMBL6399200 | 0.90 | NR5A1 (0.65) | NR5A1RARBLMNALTA4HTSHR | |
| SCHEMBL5657236 | 0.88 | LMNA (0.45) | NR5A1RARBLMNAMEN1USP2 | |
| SCHEMBL2772370 | 0.88 | LTA4H (0.55) | NR5A1CYP3A4SMN1; SMN2LTA4HTSHR | |
| SCHEMBL6339445 | 0.87 | RARB (0.44) | NR5A1RARBLMNAMEN1USP2 | |
| SCHEMBL7928207 | 0.87 | NR5A1 (0.51) | NR5A1RARBLMNAMEN1USP2 | |
| SCHEMBL7929635 | 0.85 | NR5A1 (0.54) | NR5A1RARBLMNAMEN1USP2 |
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 |