Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | CCNC | P24863 | 2/20 | 0.35 |
| ▸ | CDK8 | P49336 | 2/20 | 0.35 |
| ▸ | CDKN1A | P38936 | 1/20 | 0.35 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.35 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.34 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.34 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22401515 | 1.00 | PIN1 (0.38) | PIN1CA1CA2KDM1AESR1 | |
| SCHEMBL5453960 | 0.83 | PIN1 (0.40) | PIN1CA1CA2KDM1AESR1 | |
| SCHEMBL29374750 | 0.83 | PIN1 (0.40) | PIN1CA1CA2KDM1AESR1 | |
| SCHEMBL29374256 | 0.80 | TRPV4 (0.43) | PIN1HIF1A | |
| SCHEMBL22401516 | 0.80 | TRPV4 (0.43) | PIN1HIF1A | |
| SCHEMBL1289623 | 0.74 | ESR1 (0.54) | ESR1ESR2 | |
| SCHEMBL26606901 | 0.72 | KMT2A (0.39) | PIN1CA1CA2KDM4ECYP11B2 | |
| SCHEMBL7505331 | 0.72 | PIN1 (0.40) | PIN1CA1CA2KDM1AKDM4E | |
| SCHEMBL1036525 | 0.72 | HRH3 (0.46) | PIN1CA1CA2CYP11B2PKN1 | |
| SCHEMBL22401513 | 0.71 | CCNE2 (0.43) | KDM1AKDM4ECYP3A4CYP2C19HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3708568-B1 | COMPOUND CAPABLE OF INHIBITING PHOSPHODIESTERASE 4, PREPARATION METHOD, AND MEDICAL USE THEREOF | HEFEI INDUSTRIAL PHARMACEUTICAL INST CO LTD (CN) | 2022-02-09 | — | — | EP | disclosed |