Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 4/20 | 0.38 |
| ▸ | PPARD | Q03181 | 4/20 | 0.38 |
| ▸ | PPARA | Q07869 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7216146 | 0.91 | HTR1A (0.40) | ESR1KDM4ETP53MAPTMEN1 | |
| SCHEMBL31256545 | 0.87 | ESR1 (0.44) | ESR1HPGDKDM4EALDH1A1HTT | |
| SCHEMBL7922019 | 0.87 | MAPT (0.45) | PTGS1PTGS2HPGDKDM4ETP53 | |
| SCHEMBL7931064 | 0.87 | ESR1 (0.42) | ESR1PTGS1PTGS2HPGDKDM4E | |
| SCHEMBL7922026 | 0.86 | HTT (0.39) | ESR1KDM4ETP53MEN1ALDH1A1 | |
| SCHEMBL28832127 | 0.83 | PPARG (0.47) | ESR1PTGS1PTGS2KDM4ETP53 | |
| SCHEMBL7929514 | 0.83 | POLB (0.43) | HPGDKDM4ETP53MAPTMEN1 | |
| SCHEMBL7216153 | 0.80 | SMN1; SMN2 (0.32) | ESR1PTGS1PTGS2PPARD | |
| SCHEMBL1911835 | 0.80 | MTNR1A (0.48) | ESR1PTGS1PTGS2KDM4ETP53 | |
| SCHEMBL7934233 | 0.79 | KDM4E (0.40) | PTGS1PTGS2KDM4EMAPTMEN1 |
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 |