Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SGMS2 | Q8NHU3 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ANPEP | P15144 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 2/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7692912 | 0.80 | ANPEP (0.38) | SGMS2ATMANPEP | |
| SCHEMBL14017796 | 0.75 | ATM (0.47) | ATMTAAR1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7695315 | 0.74 | TAS1R3 (0.52) | ATMANPEPPKM | |
| SCHEMBL6265941 | 0.69 | ALDH1A1 (0.49) | ATMTAAR1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL15883199 | 0.66 | ALDH1A1 (0.55) | ATMTAAR1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL11664862 | 0.66 | TAAR1 (0.49) | ATMTAAR1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL11659570 | 0.65 | TAAR1 (0.45) | ATMTAAR1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL3860721 | 0.65 | TAAR1 (0.47) | ATMTAAR1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL4696476 | 0.65 | TAAR1 (0.47) | ATMTAAR1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL1911387 | 0.64 | CYP1A2 (0.47) | ATMTAAR1CYP1A2CYP3A4CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6339159-B1 | REACTING AN ALDEHYDE COMPOUND, AN AMINO COMPOUND AND HYDROGEN CYANATE IN THE PRESENCE OF A CHIRAL ZIRCONIUM CATALYST OBTAINED BY MIXING ZIRCONIUM ALKOXIDE WITH OPTICALLY ACTIVE BINAPHTHOL COMPOUND TO FORM ALPHA-AMINONITRILE | JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) | 2002-01-15 | — | — | US | disclosed |