Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | MIF | P14174 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.41 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9557571 | 0.90 | CNR1 (0.44) | TAAR1MIFMEN1KMT2AGRM2 | |
| SCHEMBL11825679 | 0.80 | TAAR1 (0.56) | TAAR1MIFMEN1KMT2AGRM2 | |
| SCHEMBL9556996 | 0.77 | HSP90AA1 (0.43) | TAAR1MIFKDM4ECYP1A2CYP3A4 | |
| SCHEMBL27709750 | 0.76 | CCR1 (0.40) | TAAR1ATMSIGMAR1 | |
| SCHEMBL9804762 | 0.74 | CTSC (0.39) | TAAR1MIFMEN1KMT2AGRIN1 | |
| Hydrochloric Acid SCHEMBL10925068 | 0.74 | CYP2D6 (0.47) | TAAR1MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL9557205 | 0.73 | LTA4H (0.41) | TAAR1MEN1KMT2AATMALDH1A1 | |
| SCHEMBL177514 | 0.72 | TAAR1 (0.67) | TAAR1MIFMEN1KMT2AIDO1 | |
| SCHEMBL30186510 | 0.72 | TAAR1 (0.67) | TAAR1MIFMEN1KMT2AIDO1 | |
| SCHEMBL8781661 | 0.72 | TAAR1 (0.67) | TAAR1MIFMEN1KMT2AGRM2 |
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 |