Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5252476 | 0.84 | ATM (0.45) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL103056 | 0.77 | NCEH1 (0.50) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL1402654 | 0.77 | CYP2A6 (0.46) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL607363 | 0.77 | TSHR (0.56) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL23115893 | 0.76 | CTRC (0.49) | TDP1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11860817 | 0.76 | NCEH1 (0.43) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL2098306 | 0.76 | TDP1 (0.44) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL29497335 | 0.76 | TDP1 (0.44) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL1402335 | 0.75 | CYP2A6 (0.44) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL6910872 | 0.75 | CYP2A6 (0.54) | CYP2A6TSHRALDH1A1HSD17B10TDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4529810-A | Preparation of optically-active alpha-substituted carboxylic esters and acids | SHELL OIL COMPANY (US) | 1985-07-16 | — | — | US | disclosed |
| EP-0116914-A1 | Preparation of optically-active alpha-substituted carboxylic esters and acids | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1984-08-29 | — | — | EP | disclosed |