Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 4/20 | 0.43 |
| ▸ | ESR1 | P03372 | 3/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | ACP3 | P15309 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL8425821 | 0.85 | ESR1 (0.44) | PDE2AESR1ESR2KIF11CES2 | |
| SCHEMBL18210542 | 0.80 | PDE2A (0.46) | PDE2AKIF11CES2CES1DHODH | |
| SCHEMBL11824304 | 0.79 | PNMT (0.45) | ESR1ESR2CES2ACP3 | |
| SCHEMBL7967104 | 0.78 | ESR1 (0.47) | ESR1ESR2ALDH1A1 | |
| SCHEMBL4656621 | 0.77 | PDE2A (0.43) | PDE2AESR1ESR2KIF11CES2 | |
| SCHEMBL11444606 | 0.77 | PDE2A (0.47) | PDE2AESR1ESR2DHODHALDH1A1 | |
| SCHEMBL11157506 | 0.77 | KDM4E (0.41) | PDE2AESR1ESR2ALDH1A1 | |
| SCHEMBL17465918 | 0.75 | KIF11 (0.47) | PDE2AKIF11CES2CES1ACP3 | |
| SCHEMBL11161219 | 0.75 | ESR1 (0.39) | PDE2AESR1ESR2 | |
| SCHEMBL11445507 | 0.74 | ESR1 (0.38) | PDE2AESR1ESR2ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6265439-B1 | Halogenated phenylacetonitrile alkylaminoalkylphenyl compounds as immunosuppressives | G.D. SEARLE & CO. | 2001-07-24 | — | — | US | disclosed |
| US-5451604-A | Useful in organ transplant surgery | G. D. SEARLE & CO. (US) | 1995-09-19 | — | — | US | disclosed |