Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PDIA6 | Q15084 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.36 |
| ▸ | PPARD | Q03181 | 2/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | RARB | P10826 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | NCF1 | P14598 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7934233 | 0.88 | KDM4E (0.40) | KDM4ETDP1MAPK1ALDH1A1HTT | |
| SCHEMBL7934178 | 0.88 | ALDH1A1 (0.39) | KDM4EALDH1A1HTTPPARGPPARD | |
| SCHEMBL7928483 | 0.84 | RARB (0.40) | KDM4ETDP1MAPK1ALDH1A1PPARG | |
| SCHEMBL7934212 | 0.84 | L3MBTL1 (0.44) | KDM4ETDP1MAPK1ALDH1A1L3MBTL1 | |
| SCHEMBL7216146 | 0.79 | HTR1A (0.40) | KDM4ETDP1ALDH1A1HTTPPARG | |
| SCHEMBL6342713 | 0.79 | LMNA (0.44) | KDM4ETDP1MAPK1ALDH1A1RARB | |
| SCHEMBL7934222 | 0.78 | KDM4E (0.38) | KDM4ETDP1MAPK1ALDH1A1HTT | |
| SCHEMBL7931064 | 0.78 | ESR1 (0.42) | KDM4EALDH1A1HTTPPARGPPARD | |
| SCHEMBL7922023 | 0.77 | NCF1 (0.38) | KDM4ETDP1ALDH1A1HTTPPARG | |
| SCHEMBL28832127 | 0.77 | PPARG (0.47) | KDM4EALDH1A1HTTPDIA6PPARG |
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 |