Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL1402654 | 0.77 | CYP2A6 (0.46) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL607363 | 0.77 | TSHR (0.56) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL103056 | 0.77 | NCEH1 (0.50) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL15380460 | 0.76 | ALDH1A1 (0.56) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL2167788 | 0.75 | — | — | |
| SCHEMBL6910872 | 0.75 | CYP2A6 (0.54) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL8850092 | 0.75 | GABRA1 (0.52) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL14612757 | 0.75 | CYP2A6 (0.44) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL1402335 | 0.75 | CYP2A6 (0.44) | CYP2A6TSHRALDH1A1HSD17B10TDP1 | |
| SCHEMBL10996479 | 0.75 | CYP2A6 (0.44) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4575538-A | REACTION PRODUCT OF RARE EARTH HALIDE AND LEWIS BASE AS CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1986-03-11 | — | — | US | disclosed |