Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | ALPL | P05186 | 3/20 | 0.50 |
| ▸ | ALPI | P09923 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | ALPG | P10696 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL630978 | 0.74 | TAAR1 (0.63) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL27756416 | 0.74 | TAAR1 (0.63) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL25638545 | 0.74 | TAAR1 (0.55) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL11319085 | 0.70 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30583063 | 0.70 | ALDH1A1 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19KMT2A | |
| SCHEMBL9255168 | 0.70 | ALDH1A1 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19KMT2A | |
| SCHEMBL3161814 | 0.70 | ALDH1A1 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19KMT2A | |
| SCHEMBL14029268 | 0.69 | KMT2A (1.00) | CYP3A4CYP2D6CYP2C9CYP2C19KMT2A | |
| SCHEMBL28099191 | 0.68 | IDO1 (0.68) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL27980611 | 0.67 | TAAR1 (0.67) | KMT2ATP53MEN1SMN1; SMN2NPSR1 |
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-1999037667-A1 | EFFLUX PUMP INHIBITORS | MICROCIDE PHARMACEUTICALS, INC. (US) | 1999-07-29 | — | — | WO | disclosed |