Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.41 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL11299779 | 0.78 | NCEH1 (0.44) | ALDH1A1HSD17B10NCEH1SIGMAR1HPGD | |
| SCHEMBL4748549 | 0.77 | CYP2A6 (0.38) | CYP2A6ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL1834494 | 0.77 | CYP1A2 (0.56) | CYP2A6ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL380067 | 0.77 | ALDH1A1 (0.46) | CYP2A6ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL29548528 | 0.77 | ALDH1A1 (0.46) | CYP2A6ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL29894106 | 0.76 | CHAT (0.35) | CYP2A6ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL5172330 | 0.75 | CHEK1 (0.48) | CYP2A6ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL25649454 | 0.75 | HSD17B10 (0.44) | CYP2A6ALDH1A1TSHRHSD17B10TDP1 | |
| SCHEMBL235341 | 0.75 | MAPT (0.55) | CYP2A6ALDH1A1TSHRHSD17B10TDP1 | |
| Ammonia Solution, Strong SCHEMBL8197968 | 0.75 | CYP1A2 (0.54) | CYP2A6ALDH1A1TSHRHSD17B10TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5283349-A | Intermediates for isocarbacyclins | TEIJIN LIMITED (JP) | 1994-02-01 | — | — | US | disclosed |
| EP-0216585-A2 | 2,6,7-Trisubstituted-3-methylenebicyclo [3.3.0]octanes and process for production thereof | TEIJIN LIMITED (JP) | 1987-04-01 | — | — | EP | disclosed |
| EP-0149894-A2 | Hydroformylation process | DAVY McKEE (LONDON) LIMITED (GB) | 1985-07-31 | — | — | EP | disclosed |