Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IAPP | P10997 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Orthocresol SCHEMBL11464146 | 0.87 | AKR1B1 (0.48) | CA12CA1CA2CA7CA9 | |
| O-Xylene SCHEMBL28108594 | 0.86 | TSHR (0.53) | TDP1ALDH1A1KDM4EHPGDHSD11B1 | |
| Orthocresol SCHEMBL27670622 | 0.84 | TRPA1 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28193580 | 0.83 | TRPA1 (0.68) | IAPPCA12CA1CA2CA7 | |
| Orthocresol SCHEMBL6566573 | 0.81 | TRPA1 (0.50) | CA12CA1CA2CA7CA9 | |
| Orthocresol SCHEMBL28747710 | 0.81 | TRPA1 (0.50) | CA12CA1CA2CA7CA9 | |
| Orthocresol SCHEMBL27576819 | 0.81 | TRPA1 (0.50) | CA12CA1CA2CA7CA9 | |
| Orthocresol SCHEMBL18725587 | 0.81 | TRPA1 (0.50) | CA12CA1CA2CA7CA9 | |
| Orthocresol SCHEMBL27625293 | 0.81 | TRPA1 (0.50) | CA12CA1CA2CA7CA9 | |
| Orthocresol SCHEMBL29395276 | 0.81 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104884442-B | Terazololine-one compound and application thereof | 住友化学株式会社 | 2016-11-02 | — | — | CN | disclosed |