Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.35 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | AGXT | P21549 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL180042 | 0.69 | — | — | |
| SCHEMBL29352228 | 0.69 | — | — | |
| Methane SCHEMBL28021409 | 0.67 | CA3 (0.52) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL27856362 | 0.67 | CA3 (0.52) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL9766850 | 0.67 | CA9 (0.52) | CA3CA6CA5ACA9CA14 | |
| Hydrochloric Acid SCHEMBL1682129 | 0.67 | CA3 (0.52) | CA3CA6CA5ACA9CA14 | |
| Methane SCHEMBL28949904 | 0.67 | CA3 (0.52) | CA3CA6CA5ACA9CA14 | |
| Bromide SCHEMBL1682049 | 0.67 | CA3 (0.52) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL102780 | 0.65 | ATM (0.69) | CA14ALDH1A1TDP1ATMHIF1A | |
| Nitrogen SCHEMBL28393401 | 0.65 | CA3 (0.50) | CA3CA6CA5ACA9CA14 |
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-5434116-A | Polymerization catalyst | TOSOH CORPORATION (JP) | 1995-07-18 | — | — | US | disclosed |