Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | BCR | P11274 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | HTR2B | P41595 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27513610 | 0.89 | ABL1 (0.53) | ABL1ABCB1BCRGABRA1GABRB2 | |
| SCHEMBL7424659 | 0.79 | PPARA (0.42) | GABRA1GABRB2CA1CA2CA12 | |
| SCHEMBL10094321 | 0.79 | HSD17B1 (0.47) | GABRA1GABRB2CA1CA2CA12 | |
| SCHEMBL7422808 | 0.78 | TPMT (0.47) | GABRA1CA1CA2CA12CA9 | |
| SCHEMBL10417158 | 0.77 | TRPA1 (0.46) | ABL1CA1CA2CA12CA9 | |
| SCHEMBL9742690 | 0.77 | GABRA1 (0.52) | GABRA1GABRB2CA1CA2CA12 | |
| SCHEMBL3683159 | 0.77 | GABRA1 (0.48) | GABRA1GABRB2CA1CA2CA12 | |
| SCHEMBL7421204 | 0.76 | GLRA1 (0.44) | GABRA1CA1CA2CA12CA9 | |
| SCHEMBL1513629 | 0.76 | CA1 (0.56) | ABL1ABCB1BCRGABRA1GABRB2 | |
| SCHEMBL7477542 | 0.76 | CA12 (0.42) | CA1CA2CA12CA9TRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002022584-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-03-21 | — | — | WO | disclosed |