Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9557665 | 0.90 | TAAR1 (0.48) | TAAR1MIFGAAMEN1KMT2A | |
| SCHEMBL27709750 | 0.80 | CCR1 (0.40) | TAAR1 | |
| SCHEMBL9557099 | 0.79 | ALDH1A1 (0.43) | CNR1TAAR1MIFHTTL3MBTL1 | |
| SCHEMBL11825679 | 0.76 | TAAR1 (0.56) | TAAR1MIFDPP4GAAMEN1 | |
| SCHEMBL10371526 | 0.75 | CYP19A1 (0.46) | CNR1TAAR1HTTL3MBTL1LMNA | |
| SCHEMBL9804762 | 0.73 | CTSC (0.39) | CNR1TAAR1MIFDPP4MRGPRX4 | |
| SCHEMBL9804830 | 0.71 | CYP19A1 (0.39) | CNR1HTTL3MBTL1HPGDMEN1 | |
| SCHEMBL10466354 | 0.71 | CCR1 (0.36) | L3MBTL1LMNAMEN1KMT2ATDP1 | |
| SCHEMBL27709770 | 0.71 | EBP (0.41) | TAAR1TDP1 | |
| SCHEMBL9804838 | 0.71 | VNN1 (0.38) | TAAR1MIFMRGPRX4GAAKDM4E |
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-0251775-B1 | ALPHA-ARYL-ALPHA-PHENYLETHYL-1H-1,2,4-TRIAZOLE-1-PROPANENITRILES | ROHM AND HAAS COMPANY (US) | 1993-01-20 | — | — | EP | disclosed |
| US-5087635-A | Funcicides | ROHM AND HAAS COMPANY (US) | 1992-02-11 | — | — | US | disclosed |
| EP-0251775-A2 | Alpha-aryl-alpha-phenylethyl-1H-1,2,4-triazole-1-propanenitriles | ROHM AND HAAS COMPANY (US) | 1988-01-07 | — | — | EP | disclosed |