Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | LOX | P28300 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.35 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.35 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.35 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL88959 | 0.84 | ALDH1A1 (0.44) | CYP19A1ALDH1A1AHRCYP1A2CYP2C19 | |
| SCHEMBL43448 | 0.82 | ALDH1A1 (0.58) | MAOBCYP19A1ALDH1A1TAAR1LOX | |
| SCHEMBL90334 | 0.82 | CNR1 (0.40) | CYP19A1ALDH1A1AHRCYP1A2CYP2C19 | |
| SCHEMBL89284 | 0.82 | ALDH1A1 (0.39) | MAOBCYP19A1ALDH1A1AHRCYP1A2 | |
| SCHEMBL8237574 | 0.82 | ALDH1A1 (0.39) | MAOBCYP19A1ALDH1A1AHRCYP1A2 | |
| SCHEMBL3075017 | 0.82 | ALDH1A1 (0.39) | CYP19A1ALDH1A1AHRCYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL2479666 | 0.80 | ALDH1A1 (0.55) | MAOBCYP19A1ALDH1A1TAAR1LOX | |
| SCHEMBL88961 | 0.80 | ALDH1A1 (0.48) | MAOBALDH1A1AHRCYP1A2CYP2C19 | |
| SCHEMBL4602701 | 0.79 | ALDH1A1 (0.44) | ALDH1A1AHRCYP1A2CYP2C19CYP2D6 | |
| SCHEMBL18769324 | 0.78 | GRIN2D (0.50) | MAOBCYP19A1ALDH1A1CYP1A2TAAR1 |
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-2006069788-A1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2006-07-06 | — | — | WO | disclosed |