Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LIG1 | P18858 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1533278 | 1.00 | CYP19A1 (0.45) | CYP19A1ALDH1A1TDP1SIRT2LMNA | |
| SCHEMBL7912634 | 1.00 | CYP19A1 (0.45) | CYP19A1ALDH1A1TDP1SIRT2LMNA | |
| SCHEMBL10393997 | 0.81 | TP53 (0.42) | CYP19A1ALDH1A1SMN1; SMN2 | |
| SCHEMBL1239882 | 0.81 | TP53 (0.41) | CYP19A1ALDH1A1LMNAKDM1AMAOB | |
| SCHEMBL6461863 | 0.81 | ALOX12 (0.45) | CYP19A1ALDH1A1TDP1MAOB | |
| SCHEMBL576857 | 0.81 | CYP19A1 (0.45) | CYP19A1ALDH1A1SIRT2 | |
| SCHEMBL28579162 | 0.80 | HTR2C (0.42) | — | |
| Alpha-Phenyl-Gamma-Butyrolactone SCHEMBL7909086 | 0.80 | CYP19A1 (0.44) | CYP19A1 | |
| Alpha-Phenyl-Gamma-Butyrolactone SCHEMBL6771142 | 0.80 | CYP19A1 (0.44) | CYP19A1 | |
| Alpha-Phenyl-Gamma-Butyrolactone SCHEMBL576473 | 0.80 | CYP19A1 (0.44) | CYP19A1 |
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 |