Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | GSDMD | P57764 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.31 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8000101 | 0.92 | ALDH1A1 (0.50) | ALDH1A1CYP2C9HPGDHSD17B10ABCB11 | |
| Butanedione SCHEMBL28258758 | 0.80 | HPGD (0.41) | ALDH1A1CYP2C9HPGDHSD17B10ABCB11 | |
| SCHEMBL8000107 | 0.77 | ALDH1A1 (0.40) | ALDH1A1CYP2C9HPGDHSD17B10ABCB11 | |
| SCHEMBL28001733 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP2C9HPGDHSD17B10ABCB11 | |
| SCHEMBL27977298 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP2C9HPGDHSD17B10ABCB11 | |
| SCHEMBL5671521 | 0.77 | ALDH1A1 (0.40) | ALDH1A1CYP2C9HPGDHSD17B10ABCB11 | |
| SCHEMBL9838018 | 0.77 | ALDH1A1 (0.61) | ALDH1A1CYP2C9HPGDHSD17B10ABCB11 | |
| Cyclohexane SCHEMBL8471239 | 0.76 | ADH1C (0.32) | ALDH1A1 | |
| Cyclopentane SCHEMBL9416374 | 0.76 | — | — | |
| Cyclohexane SCHEMBL9616430 | 0.76 | TSHR (0.42) | ALDH1A1CYP2C9HPGDHSD17B10CA1 |
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-5015752-A | Reaction of secondary amine with carbon disulfide and sulfur | AKZO N.V. (NL) | 1991-05-14 | — | — | US | disclosed |