Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | CNR1 | P21554 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21578106 | 0.91 | ALDH1A1 (0.65) | ALDH1A1ATMTDP1L3MBTL1SRD5A2 | |
| SCHEMBL1506643 | 0.89 | ALDH1A1 (0.62) | ALDH1A1ATMTDP1L3MBTL1SRD5A2 | |
| Benzoic Acid SCHEMBL29118978 | 0.82 | TSHR (0.67) | ALDH1A1SRD5A2DAOTSHRNAPRT | |
| SCHEMBL28678655 | 0.79 | ALDH1A1 (0.68) | ALDH1A1ATMTDP1L3MBTL1SRD5A2 | |
| SCHEMBL13911938 | 0.78 | ESR1 (0.42) | LMNACES2CES1 | |
| SCHEMBL23441147 | 0.78 | ALDH1A1 (0.48) | ALDH1A1ATMTDP1L3MBTL1SRD5A2 | |
| SCHEMBL17054654 | 0.78 | CES2 (0.54) | GAALMNARAB9ATSHRCES2 | |
| SCHEMBL1064484 | 0.77 | ALDH1A1 (0.65) | ALDH1A1ATMTDP1L3MBTL1SRD5A2 | |
| SCHEMBL11525100 | 0.76 | CYP2C9 (0.51) | ALDH1A1ATMMAPTMEN1KMT2A | |
| SCHEMBL13718952 | 0.76 | ALDH1A1 (0.46) | ALDH1A1ATMTDP1L3MBTL1SRD5A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1089988-B1 | FLUOROPHENYL RESIN COMPOUNDS | AVENTIS PHARMA INC (US) | 2009-08-12 | — | — | EP | disclosed |
| EP-1044364-B1 | METHOD FOR THE QUANTIFICATION OF SOLID-PHASE REACTIONS USING FLUORINE NMR | AVENTIS PHARM PROD INC (US) | 2007-06-13 | — | — | EP | disclosed |