Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL8045729 | 0.83 | ACHE (0.50) | SMN1; SMN2NPC1RAB9ACYP19A1MAPT | |
| SCHEMBL10394613 | 0.79 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9ACYP19A1ALDH1A1 | |
| SCHEMBL14159713 | 0.79 | SMN1; SMN2 (0.54) | SMN1; SMN2NPC1RAB9ACYP19A1ALDH1A1 | |
| SCHEMBL1600934 | 0.77 | PDPK1 (0.59) | SMN1; SMN2ALDH1A1TSHRACHE | |
| SCHEMBL2461645 | 0.77 | PDPK1 (0.59) | SMN1; SMN2ALDH1A1TSHRACHE | |
| SCHEMBL598847 | 0.77 | PDPK1 (0.59) | SMN1; SMN2ALDH1A1TSHRACHE | |
| SCHEMBL11841963 | 0.77 | DDB1 (0.51) | SMN1; SMN2NPC1RAB9ACYP19A1CES1 | |
| SCHEMBL30721496 | 0.74 | NPC1 (0.67) | SMN1; SMN2NPC1RAB9ACYP19A1ALDH1A1 | |
| SCHEMBL697728 | 0.74 | NPC1 (0.67) | SMN1; SMN2NPC1RAB9ACYP19A1ALDH1A1 | |
| SCHEMBL7506941 | 0.74 | CYP19A1 (0.53) | SMN1; SMN2NPC1RAB9ACYP19A1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0991772-A1 | METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL VICINAL AMINOALCOHOLS | Biocatalytics, Inc. (US) | 2000-04-12 | — | — | EP | disclosed |
| US-5942644-A | Precursors for the production of chiral vicinal aminoalcohols | BIOCATALYTICS, INC. (US) | 1999-08-24 | — | — | US | disclosed |
| WO-1998054350-A1 | METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL VICINAL AMINOALCOHOLS | BIOCATALYTICS, INC. (US) | 1998-12-03 | — | — | WO | disclosed |