Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | PLA2G4B | P0C869 | 4/20 | 0.57 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | PGR | P06401 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | PDE4A | P27815 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HRH1 | P35367 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL497417 | 0.94 | SMPD1 (0.55) | KMT2APLA2G4BPTPN11HPGDALDH1A1 | |
| SCHEMBL496798 | 0.94 | SMPD1 (0.55) | KMT2APLA2G4BPTPN11HPGDALDH1A1 | |
| SCHEMBL496771 | 0.94 | SMPD1 (0.55) | KMT2APLA2G4BPTPN11HPGDALDH1A1 | |
| SCHEMBL8925222 | 0.90 | HPGD (0.65) | KMT2APLA2G4BPTPN11HPGDALDH1A1 | |
| SCHEMBL2482330 | 0.89 | HPGD (0.68) | KMT2APTPN11HPGDALDH1A1LMNA | |
| SCHEMBL29633649 | 0.89 | HPGD (0.68) | KMT2APTPN11HPGDALDH1A1LMNA | |
| SCHEMBL38596 | 0.88 | HPGD (0.64) | KMT2APLA2G4BPTPN11HPGDALDH1A1 | |
| SCHEMBL11679030 | 0.88 | HPGD (0.64) | KMT2APLA2G4BPTPN11HPGDALDH1A1 | |
| Octabenzone SCHEMBL27387 | 0.88 | HPGD (0.64) | KMT2APLA2G4BPTPN11HPGDALDH1A1 | |
| Octabenzone SCHEMBL10805004 | 0.88 | HPGD (0.64) | KMT2APLA2G4BPTPN11HPGDALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5504244-A | 3-(4-N-PENTYLPHENYLACYL)BENZOIC ACID OR SALT OR ESTER | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 1996-04-02 | — | — | US | disclosed |