Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.51 |
| ▸ | CHEK2 | O96017 | 6/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.40 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.40 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17868506 | 0.85 | PIN1 (0.72) | PIN1NQO2SMPD3PARP1KDM4E | |
| Hydrochloric Acid SCHEMBL27325075 | 0.83 | PIN1 (0.70) | PIN1NQO2SMPD3PARP1KDM4E | |
| SCHEMBL25478641 | 0.83 | PIN1 (0.74) | PIN1CHEK2NQO2PARP1DHODH | |
| SCHEMBL17868544 | 0.81 | MAPT (0.52) | PIN1SMPD3KDM4EHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL27309553 | 0.80 | MAPT (0.51) | PIN1SMPD3KDM4EHPGDHSD17B10 | |
| SCHEMBL27491866 | 0.78 | ALDH1A1 (0.47) | PIN1KDM4EHPGDHSD17B10ALPL | |
| SCHEMBL19463621 | 0.74 | PIN1 (0.43) | PIN1CHEK2CDC7PARP1KDM4E | |
| SCHEMBL28053098 | 0.73 | SMPD3 (0.49) | PIN1SMPD3PARP1NISCH | |
| SCHEMBL759817 | 0.72 | — | — | |
| SCHEMBL31301603 | 0.72 | GPBAR1 (0.51) | PIN1CHEK2 |
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-2012174164-A2 | AGONISTS OF GPR131 AND USES THEREOF | METABOLEX, INC. (US) | 2012-12-20 | — | — | WO | disclosed |