Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.88 |
| ▸ | LTA4H | P09960 | 3/20 | 0.70 |
| ▸ | CA1 | P00915 | 2/20 | 0.59 |
| ▸ | CA2 | P00918 | 2/20 | 0.59 |
| ▸ | CA7 | P43166 | 2/20 | 0.59 |
| ▸ | CA9 | Q16790 | 2/20 | 0.59 |
| ▸ | CA12 | O43570 | 1/20 | 0.59 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.59 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD4 | P21917 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Anisole SCHEMBL30601749 | 0.94 | — | — | |
| Anisole SCHEMBL20328417 | 0.94 | — | — | |
| Anisole SCHEMBL28813915 | 0.94 | CA4 (1.00) | CA4LTA4HCA1CA2CA7 | |
| Anisole SCHEMBL1205 | 0.94 | — | — | |
| Anisole SCHEMBL10721106 | 0.94 | CA4 (1.00) | CA4LTA4HCA1CA2CA7 | |
| Anisole SCHEMBL8472521 | 0.94 | CA4 (1.00) | CA4LTA4HCA1CA2CA7 | |
| Anisole SCHEMBL2493788 | 0.94 | CA4 (1.00) | CA4LTA4HCA1CA2CA7 | |
| Anisole SCHEMBL3630332 | 0.91 | CA4 (0.82) | CA4LTA4HCA1CA2CA7 | |
| Anisole SCHEMBL2336805 | 0.90 | — | — | |
| Anisole SCHEMBL5377903 | 0.90 | CA4 (0.93) | CA4LTA4HCA1CA2CA7 |
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-104470925-B | Imidazo-triazine formonitrile HCN as kinase inhibitor | 百时美施贵宝公司 | 2017-12-05 | — | — | CN | disclosed |