Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 3/20 | 0.41 |
| ▸ | PPARA | Q07869 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 5/20 | 0.39 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.38 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.38 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.36 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15429147 | 0.86 | SLC6A2 (0.38) | TRPV1PPARGPPARAGAAEPHX2 | |
| SCHEMBL13580792 | 0.85 | TRPV1 (0.41) | TRPV1PPARGPPARAGAAEPHX2 | |
| SCHEMBL15434123 | 0.83 | HTT (0.50) | GAAEPHX2ESR1IP6K1IP6K3 | |
| SCHEMBL15434128 | 0.79 | GAA (0.47) | PPARGPPARAGAANR1H4ESR1 | |
| SCHEMBL2532650 | 0.79 | IP6K1 (0.44) | TRPV1PPARGPPARAGAAEPHX2 | |
| SCHEMBL15434108 | 0.79 | IP6K1 (0.46) | TRPV1PPARGPPARAGAAEPHX2 | |
| SCHEMBL15434135 | 0.79 | IP6K1 (0.46) | TRPV1PPARGPPARAGAAEPHX2 | |
| SCHEMBL15434144 | 0.79 | IP6K1 (0.46) | TRPV1PPARGPPARAGAAEPHX2 | |
| SCHEMBL2532652 | 0.79 | IP6K1 (0.44) | TRPV1PPARGPPARAGAAEPHX2 | |
| SCHEMBL13580818 | 0.79 | TRPV1 (0.43) | TRPV1PPARGPPARAGAAEPHX2 |
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-8633245-B2 | PAI-1 inhibitor | INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) | 2014-01-21 | — | — | US | disclosed |