Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ATIC | P31939 | 2/20 | 0.40 |
| ▸ | MPL | P40238 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CHAT | P28329 | 1/20 | 0.39 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SUMO2 | P61956 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22396639 | 0.82 | TTR (0.60) | TTRCYP1A2CA1CA2AURKA | |
| SCHEMBL3578778 | 0.79 | FABP4 (0.51) | TTRCYP1A2CA1CA2AURKA | |
| SCHEMBL29363198 | 0.77 | TTR (0.75) | TTRCYP1A2CA1CA2AURKA | |
| SCHEMBL30233642 | 0.77 | TTR (0.75) | TTRCYP1A2CA1CA2AURKA | |
| SCHEMBL6242 | 0.77 | TTR (0.75) | TTRCYP1A2CA1CA2AURKA | |
| Hydrochloric Acid SCHEMBL27892368 | 0.77 | FABP4 (0.50) | TTRCYP1A2CA1CA2AURKA | |
| SCHEMBL6614757 | 0.77 | FABP4 (0.50) | TTRCYP1A2CA1CA2AURKA | |
| SCHEMBL11300699 | 0.76 | MPL (0.45) | CYP1A2MPLCYP2C9CYP2D6MEN1 | |
| Ammonia Solution, Strong SCHEMBL25312340 | 0.75 | TTR (0.72) | TTRCYP1A2CA1CA2AURKA | |
| SCHEMBL1502472 | 0.75 | TTR (0.72) | TTRCYP1A2CA1CA2AURKA |
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-5030631-A | Hypotensive, bronchodilator agents | SCHERING CORPORATION (US) | 1991-07-09 | — | — | US | disclosed |