Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDB1 | Q16531 | 1/20 | 0.50 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAP2K3 | P46734 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2303850 | 1.00 | DDB1 (0.50) | DDB1CRBNCYP19A1ALOX15ALOX12 | |
| SCHEMBL28722327 | 0.81 | DDB1 (0.55) | DDB1CRBNCYP19A1ALDH1A1 | |
| SCHEMBL576857 | 0.80 | CYP19A1 (0.45) | CYP19A1ALDH1A1KMT2AMAPTHPGD | |
| SCHEMBL8729044 | 0.79 | ACHE (0.48) | ALDH1A1RAB9A | |
| SCHEMBL7905996 | 0.79 | ACHE (0.48) | ALDH1A1RAB9A | |
| SCHEMBL28721861 | 0.79 | PRKDC (0.40) | — | |
| SCHEMBL12951798 | 0.77 | DDB1 (0.48) | DDB1CRBNCYP19A1ALOX15ALOX12 | |
| SCHEMBL21470639 | 0.77 | DDB1 (0.55) | DDB1CRBNCYP19A1ALOX15ALOX12 | |
| SCHEMBL1533278 | 0.77 | CYP19A1 (0.45) | CYP19A1ALDH1A1SMN1; SMN2 | |
| SCHEMBL10393997 | 0.77 | TP53 (0.42) | CYP19A1ALDH1A1KMT2AMEN1SMN1; SMN2 |
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 |