Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.68 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 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 | |
|---|---|---|---|---|
| SCHEMBL9375189 | 1.00 | CYP19A1 (0.68) | CYP19A1RAB9AALDH1A1KDM4ENPC1 | |
| SCHEMBL12852979 | 0.91 | CYP19A1 (0.56) | CYP19A1RAB9AALDH1A1KDM4ENPC1 | |
| SCHEMBL15292027 | 0.86 | CYP19A1 (0.76) | CYP19A1MAPTCYP1A2CYP3A4LMNA | |
| SCHEMBL20585273 | 0.86 | CYP19A1 (0.76) | CYP19A1MAPTCYP1A2CYP3A4LMNA | |
| SCHEMBL4810645 | 0.86 | CYP19A1 (0.76) | CYP19A1MAPTCYP1A2CYP3A4LMNA | |
| SCHEMBL15874625 | 0.86 | CYP19A1 (0.76) | CYP19A1MAPTCYP1A2CYP3A4LMNA | |
| SCHEMBL15874815 | 0.84 | CYP19A1 (0.68) | CYP19A1RAB9AALDH1A1KDM4ENPC1 | |
| SCHEMBL13267868 | 0.84 | CYP19A1 (0.68) | CYP19A1RAB9AALDH1A1KDM4ENPC1 | |
| SCHEMBL8001882 | 0.83 | RAB9A (0.53) | CYP19A1RAB9AALDH1A1KDM4EMAPT | |
| SCHEMBL30244866 | 0.83 | CYP19A1 (0.58) | CYP19A1CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014109712-A1 | PALLADIUM-CATALYZED ASYMMETRIC (HETERO)ARYLATION AND VINYLATION OF KETONE ENOLATES TO PRODUCE TERTIARY STEREOCENTERS AT ALPHA(α)-POSITION | NANAYNG TECHNOLOGICAL UNIVERSITY (SG) | 2014-07-17 | — | — | WO | disclosed |