Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7934178 | 0.91 | ALDH1A1 (0.39) | ESR1ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL7931065 | 0.87 | ESR1 (0.43) | ESR1ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL7922017 | 0.86 | MAPT (0.44) | ALDH1A1MAPTKDM4EMEN1GAA | |
| SCHEMBL28832127 | 0.85 | PPARG (0.47) | ESR1ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL7922023 | 0.85 | NCF1 (0.38) | ESR1ALDH1A1MAPTKDM4EHTT | |
| SCHEMBL1911835 | 0.82 | MTNR1A (0.48) | ESR1ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL7929511 | 0.81 | L3MBTL1 (0.42) | ALDH1A1MAPTKDM4EMEN1GAA | |
| SCHEMBL4814773 | 0.79 | ESR1 (0.42) | ESR1ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL7216146 | 0.79 | HTR1A (0.40) | ESR1ALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL30630148 | 0.78 | ESR1 (0.54) | ESR1ALDH1A1MAPTKDM4EPPARG |
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 |