Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | DDR1 | Q08345 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6673408 | 0.88 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL28519054 | 0.87 | LMNA (0.41) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL10595806 | 0.86 | HPGD (0.48) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL6891924 | 0.85 | HPGD (0.64) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL3254341 | 0.82 | HPGD (0.50) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL8846631 | 0.81 | TSHR (0.45) | CYP1A2ALDH1A1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL6564104 | 0.78 | MAPT (0.47) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL9709811 | 0.78 | CLCN2 (0.44) | CYP1A2HPGDALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL10397526 | 0.78 | TSHR (0.47) | CYP1A2MAPTALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL3715168 | 0.77 | HPGD (0.40) | CYP1A2CYP3A4CYP2D6MAPTCYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5097068-A | For preparing herbicidal, substituted benzoyl cyclohexanediones | ICI AMERICAS, INC. (US) | 1992-03-17 | — | — | US | disclosed |
| US-4966998-A | FOR PREPARING HERBICIDES, TRISUBSTITUTED BENZOYL CYCLOHEXANEDIONES | ICI AMERICAS INC. (US) | 1990-10-30 | — | — | US | disclosed |
| US-4898973-A | Trisubstituted benzoic acid intermediates | ICI AMERICAS INC. (US) | 1990-02-06 | — | — | US | disclosed |
| EP-0195247-B1 | TRISUBSTITUTED BENZOIC ACID INTERMEDIATES | STAUFFER CHEMICAL COMPANY (US) | 1989-02-08 | — | — | EP | disclosed |