Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | PTPN22 | Q9Y2R2 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 5/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | SALL4 | Q9UJQ4 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6983396 | 0.82 | NOS3 (0.48) | NOS3NOS2NSD2OPRM1OPRD1 | |
| SCHEMBL6986629 | 0.82 | NOS3 (0.48) | NOS3NOS2NSD2OPRM1OPRD1 | |
| SCHEMBL13651003 | 0.80 | NSD2 (0.36) | NSD2OPRM1OPRD1HKDC1CYP1A2 | |
| SCHEMBL6985896 | 0.74 | MAOA (0.44) | NOS3NOS2NSD2OPRM1OPRD1 | |
| SCHEMBL11742766 | 0.70 | NOS3 (0.62) | NOS3NOS2ACHESMN1; SMN2 | |
| SCHEMBL6983548 | 0.69 | NOS3 (0.51) | NOS3NOS2CYP1A2ACHE | |
| SCHEMBL18644310 | 0.68 | NOS3 (0.56) | NOS3NOS2ACHE | |
| SCHEMBL6986832 | 0.68 | HSD11B1 (0.35) | NOS3NOS2CYP1A2KDM4EALDH1A1 | |
| SCHEMBL8099687 | 0.67 | NOS3 (0.54) | NOS3NOS2ACHEMAPTKDM4E | |
| SCHEMBL15400598 | 0.67 | PTPN22 (0.65) | NSD2OPRM1OPRD1HKDC1CYP1A2 |
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-8183378-B2 | Ligands, their preparation and uses thereof in asymmetric reactions | Li, Chao-Jun (CA) | 2012-05-22 | — | — | US | disclosed |