Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9445274 | 0.98 | MAPT (0.48) | CYP1A2CYP2C9CYP2C19MAPTCYP3A4 | |
| SCHEMBL10634246 | 0.95 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19MAPTCYP3A4 | |
| SCHEMBL7781498 | 0.90 | L3MBTL1 (0.47) | CYP1A2CYP2C9CYP2C19MAPTHTR2B | |
| SCHEMBL9570663 | 0.90 | L3MBTL1 (0.42) | CYP1A2CYP2C9MAPTCYP3A4LMNA | |
| SCHEMBL7197450 | 0.82 | L3MBTL1 (0.55) | CYP1A2CYP2C9MAPTLMNAMEN1 | |
| SCHEMBL9260429 | 0.82 | MAPT (0.51) | CYP1A2CYP2C9CYP2C19MAPTCYP3A4 | |
| SCHEMBL8019639 | 0.80 | SLC2A1 (0.50) | CYP2C9MAPTCYP3A4LMNAMEN1 | |
| SCHEMBL16149651 | 0.80 | CYP1A2 (0.42) | CYP1A2CYP2C9CYP2C19MAPTCYP3A4 | |
| SCHEMBL15396940 | 0.79 | ALDH1A1 (0.46) | MAPTCYP3A4LMNAMEN1NR1I2 | |
| SCHEMBL6132225 | 0.79 | ALDH1A1 (0.46) | MAPTCYP3A4LMNAMEN1NR1I2 |
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-0234683-B1 | ALPHA-(2-ALKOXYPHENYL)-ALPHA-ALKYL-1H-1,2,4-TRIAZOLE-1-PROPANENITRILES AND DERIVATIVES | ROHM AND HAAS COMPANY (US) | 1991-04-17 | — | — | EP | disclosed |
| US-4895865-A | FUNGICIDES | ROHM AND HAAS COMPANY (US) | 1990-01-23 | — | — | US | disclosed |
| EP-0234683-A1 | Alpha-(2-alkoxyphenyl)-alpha-alkyl-1H-1,2,4-triazole-1-propanenitriles and derivatives | ROHM AND HAAS COMPANY (US) | 1987-09-02 | — | — | EP | disclosed |