Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.57 |
| ▸ | MIF | P14174 | 2/20 | 0.49 |
| ▸ | ACP3 | P15309 | 1/20 | 0.49 |
| ▸ | DAO | P14920 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | FBP1 | P09467 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11562031 | 0.90 | TAAR1 (0.54) | TAAR1MIFACP3DAOIDO1 | |
| SCHEMBL3012993 | 0.83 | TAAR1 (0.51) | TAAR1MIFACP3DAOIDO1 | |
| SCHEMBL188307 | 0.82 | TSHR (0.42) | MEN1KMT2ACYP19A1ALDH1A1 | |
| SCHEMBL28104855 | 0.80 | TAAR1 (0.53) | TAAR1MIFACP3DAOIDO1 | |
| SCHEMBL148989 | 0.79 | TAAR1 (0.52) | TAAR1MIFDAOIDO1FBP1 | |
| SCHEMBL20169952 | 0.78 | MEN1 (0.43) | TAAR1ACP3IDO1FBP1HTR2A | |
| SCHEMBL156738 | 0.77 | TAAR1 (0.67) | TAAR1MIFACP3DAOIDO1 | |
| SCHEMBL3239501 | 0.76 | CHRM2 (0.56) | DAO | |
| SCHEMBL28569050 | 0.75 | FBP1 (0.53) | TAAR1MIFACP3DAOIDO1 | |
| SCHEMBL14549528 | 0.74 | TAAR1 (0.75) | TAAR1MIFACP3DAOIDO1 |
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-0129528-B1 | PROCESS FOR THE PREPARATION OF NITRO-SUBSTITUTED BENZOTRIFLUORIDE COMPOUNDS | MONSANTO COMPANY (US) | 1987-05-13 | — | — | EP | disclosed |
| EP-0129528-A1 | Process for the preparation of nitro-substituted benzotrifluoride compounds | MONSANTO COMPANY (US) | 1984-12-27 | — | — | EP | disclosed |
| US-4467125-A | HERBICIDES | MONSANTO COMPANY (US) | 1984-08-21 | — | — | US | disclosed |