Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 2/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.44 |
| ▸ | RXRA | P19793 | 1/20 | 0.44 |
| ▸ | RXRB | P28702 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 3/20 | 0.43 |
| ▸ | LDHA | P00338 | 1/20 | 0.43 |
| ▸ | LDHB | P07195 | 1/20 | 0.43 |
| ▸ | CTRC | Q99895 | 1/20 | 0.43 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.40 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.40 |
| ▸ | BCL2 | P10415 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7421204 | 0.87 | GLRA1 (0.44) | PPARAPPARGCA12CA1CA2 | |
| SCHEMBL7419776 | 0.84 | CNR2 (0.46) | PPARAPPARGKCNK3KCNK9 | |
| SCHEMBL10094322 | 0.81 | KMO (0.56) | RXRARXRB | |
| SCHEMBL7424618 | 0.80 | RPS6KA3 (0.53) | TPMTRXRARXRBLDHALDHB | |
| SCHEMBL26355868 | 0.79 | TP53 (0.47) | PPARAPPARGCA12CA1CA2 | |
| SCHEMBL2035474 | 0.79 | CA12 (0.54) | PPARAPPARGRXRARXRBTTR | |
| SCHEMBL132892 | 0.79 | GABRA1 (0.53) | PPARAPPARGCA12CA1CA2 | |
| SCHEMBL7422130 | 0.78 | ABL1 (0.43) | PPARAPPARGCA12CA1CA2 | |
| SCHEMBL7424659 | 0.77 | PPARA (0.42) | PPARAPPARGCA12CA1CA2 | |
| SCHEMBL7247750 | 0.77 | RXRA (0.66) | TPMTRXRARXRBCTRCHCAR1 |
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 |