Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.38 |
| ▸ | EDNRA | P25101 | 2/20 | 0.38 |
| ▸ | EDNRB | P24530 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8048881 | 1.00 | MEN1 (0.44) | MEN1KMT2AMMP3MMP8TSHR | |
| SCHEMBL28127659 | 0.83 | ALDH1A1 (0.41) | TSHRGAABLMALDH1A1OPRM1 | |
| SCHEMBL8055209 | 0.81 | CYP1A2 (0.47) | MEN1KMT2ATSHRNPSR1BLM | |
| SCHEMBL14226877 | 0.81 | CYP1A2 (0.47) | MEN1KMT2ATSHRNPSR1BLM | |
| SCHEMBL8037310 | 0.81 | CYP1A2 (0.47) | MEN1KMT2ATSHRNPSR1BLM | |
| SCHEMBL7891740 | 0.81 | MEN1 (0.44) | MEN1KMT2AMMP3MMP8TSHR | |
| SCHEMBL7891735 | 0.81 | MEN1 (0.44) | MEN1KMT2AMMP3MMP8TSHR | |
| SCHEMBL7891742 | 0.81 | MEN1 (0.44) | MEN1KMT2AMMP3MMP8TSHR | |
| SCHEMBL30006531 | 0.80 | ALDH1A1 (0.47) | TSHRBLMCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL30006175 | 0.80 | ALDH1A1 (0.47) | TSHRBLMCYP1A2CYP2C9CYP2C19 |
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 |