Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL79572 | 1.00 | NCEH1 (0.46) | NCEH1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL10557353 | 0.98 | NCEH1 (0.45) | NCEH1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL29781079 | 0.98 | NCEH1 (0.45) | NCEH1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL2020430 | 0.98 | NCEH1 (0.45) | NCEH1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL10557357 | 0.98 | NCEH1 (0.45) | NCEH1ALDH1A1CYP2A6TSHRHSD17B10 | |
| SCHEMBL9614446 | 0.98 | NCEH1 (0.45) | NCEH1ALDH1A1CYP2A6TSHRHSD17B10 | |
| Hydrogen Peroxide SCHEMBL8609950 | 0.96 | NCEH1 (0.47) | NCEH1ALDH1A1CYP2A6TSHRHSD17B10 | |
| Hydrogen Peroxide SCHEMBL8610415 | 0.96 | NCEH1 (0.47) | NCEH1ALDH1A1CYP2A6TSHRHSD17B10 | |
| Aziridine SCHEMBL11865470 | 0.91 | NCEH1 (0.41) | NCEH1ALDH1A1CYP2A6TSHRHSD17B10 | |
| Pyrrole SCHEMBL29002717 | 0.89 | NCEH1 (0.40) | NCEH1ALDH1A1CYP2A6TSHRHSD17B10 |
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-4486762-A | CHROMOGEN, COLOR ACCEPTOR, PULP POWER | KANZAKI PAPER MANUFACTURING CO., LTD. (JP) | 1984-12-04 | — | — | US | disclosed |