Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.44 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.43 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.43 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.41 |
| ▸ | CTRC | Q99895 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.39 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Alpha-Phenyl-Gamma-Butyrolactone SCHEMBL6771142 | 1.00 | CYP19A1 (0.44) | CYP19A1DDB1CRBNCTRB1CTRC | |
| Alpha-Phenyl-Gamma-Butyrolactone SCHEMBL576473 | 1.00 | CYP19A1 (0.44) | CYP19A1DDB1CRBNCTRB1CTRC | |
| Alpha-Phenyl-Gamma-Butyrolactone SCHEMBL28579210 | 0.91 | CYP19A1 (0.40) | CYP19A1DDB1CRBNCTRB1CTRC | |
| SCHEMBL576991 | 0.88 | TP53 (0.42) | CYP19A1DDB1CRBNCTRB1CTRC | |
| SCHEMBL576404 | 0.86 | TP53 (0.41) | CYP19A1DDB1CRBNCTRB1CTRC | |
| Alpha-Phenyl-Gamma-Butyrolactone SCHEMBL28588955 | 0.84 | CYP19A1 (0.43) | CYP19A1DDB1CRBNCTRB1 | |
| Alpha-Phenyl-Gamma-Butyrolactone SCHEMBL28591531 | 0.83 | ALDH1A1 (0.51) | CYP19A1DDB1CRBNCTRB1CTRC | |
| SCHEMBL6461863 | 0.80 | ALOX12 (0.45) | CYP19A1KMT2AMAPK1 | |
| SCHEMBL10393997 | 0.80 | TP53 (0.42) | CYP19A1KMT2A | |
| SCHEMBL576857 | 0.80 | CYP19A1 (0.45) | CYP19A1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6207862-B1 | PRECURSORS ARE CHIRAL 4-HYDROXYCARBOXAMIDES, 4-HYDROXYHYDROXAMIC ACIDS, OR 4-HYDROXYHYDRAZIDES PRODUCED FROM GAMMA-LACTONES, WHICH IN TURN ARE DERIVED FROM 1,4-DIOLS BY STEREOSELECTIVE OXIDATION, | BIOCATALYTICS, INC. | 2001-03-27 | — | — | US | disclosed |
| WO-1999032649-A1 | METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL 1,3-AMINOALCOHOLS | BIOCATALYTICS, INC. (US) | 1999-07-01 | — | — | WO | disclosed |
| US-5916786-A | Method for the production of chiral 1,3-aminoalcohols | BIOCATALYTICS, INC. (US) | 1999-06-29 | — | — | US | disclosed |