Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.39 |
| ▸ | CYP4F11 | Q9HBI6 | 1/20 | 0.39 |
| ▸ | CYP4F12 | Q9HCS2 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11779263 | 1.00 | CYP2C9 (0.39) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6067530 | 0.81 | CYP3A4 (0.56) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11454683 | 0.81 | CYP3A4 (0.56) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11868322 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL11533363 | 0.79 | CYP3A4 (0.55) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11776909 | 0.78 | CYP2C9 (0.39) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11153211 | 0.78 | ALDH1A1 (0.43) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11776914 | 0.78 | CYP2C9 (0.39) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11144308 | 0.78 | SIGMAR1 (0.45) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11144303 | 0.78 | SIGMAR1 (0.45) | CYP2C9CYP3A4CYP1A2CYP2D6CYP2C19 |
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-3947591-A | Pesticidal N,N\"-thio and dithio bis(substituted phenyl formamidines) | THE UPJOHN COMPANY (US) | 1976-03-30 | — | — | US | disclosed |