Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | APP | P05067 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | SNCA | P37840 | 1/20 | 0.48 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10669279 | 1.00 | CYP1A2 (0.65) | CYP1A2CYP2C19CYP3A4MAPTKDM4E | |
| SCHEMBL15778438 | 0.83 | CYP1A2 (0.67) | CYP1A2CYP2C19CYP3A4MAPTKDM4E | |
| SCHEMBL15778440 | 0.83 | CYP1A2 (0.67) | CYP1A2CYP2C19CYP3A4MAPTKDM4E | |
| SCHEMBL14069230 | 0.83 | CYP1A2 (0.67) | CYP1A2CYP2C19CYP3A4MAPTKDM4E | |
| SCHEMBL10556115 | 0.81 | CYP1A2 (0.65) | CYP1A2CYP2C19CYP3A4MAPTKMT2A | |
| SCHEMBL3237451 | 0.81 | CYP1A2 (0.65) | CYP1A2CYP2C19CYP3A4MAPTKMT2A | |
| SCHEMBL3237448 | 0.81 | CYP1A2 (0.65) | CYP1A2CYP2C19CYP3A4MAPTKMT2A | |
| SCHEMBL10556110 | 0.81 | CYP1A2 (0.65) | CYP1A2CYP2C19CYP3A4MAPTKMT2A | |
| SCHEMBL9869968 | 0.81 | CYP1A2 (0.64) | CYP1A2CYP2C19CYP3A4MAPTKDM4E | |
| SCHEMBL15868826 | 0.81 | CYP1A2 (0.64) | CYP1A2CYP2C19CYP3A4MAPTKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4755599-A | 3-phenyl-2-propeneamine derivatives, their preparation and composition containing them | RHONE-POULENC SANTE (FR) | 1988-07-05 | — | — | US | disclosed |
| US-4686309-A | ANTIDEPRESSANTS | RHONE-POULENC SANTE (FR) | 1987-08-11 | — | — | US | disclosed |