Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | LSS | P48449 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | BCL2A1 | Q16548 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20432353 | 0.71 | RAB9A (0.50) | ALDH1A1HTTRAB9ACYP2C19PYCR1 | |
| SCHEMBL5534484 | 0.69 | ALDH1A1 (0.50) | ALDH1A1HTTRAB9APYCR1LSS | |
| SCHEMBL11300012 | 0.67 | RAB9A (0.62) | ALDH1A1HTTRAB9ACYP2C19PYCR1 | |
| SCHEMBL13982138 | 0.67 | CYP2C19 (0.58) | ALDH1A1RAB9ACYP2C19 | |
| SCHEMBL7666503 | 0.67 | SMN1; SMN2 (0.58) | ALDH1A1HTTRAB9APYCR1MAPT | |
| SCHEMBL4573297 | 0.66 | PYCR1 (0.52) | ALDH1A1HTTRAB9ACYP2C19PYCR1 | |
| SCHEMBL197287 | 0.65 | HRH3 (0.64) | ALDH1A1HTTRAB9ACYP2C19PYCR1 | |
| SCHEMBL18532755 | 0.65 | PYCR1 (0.67) | ALDH1A1HTTRAB9APYCR1LSS | |
| SCHEMBL23029003 | 0.65 | — | — | |
| SCHEMBL22909902 | 0.64 | IDO1 (0.39) | ALDH1A1HTTRAB9ACYP2C19PYCR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1995241-A1 | Inhibitors of ion channels | ICAgen, Incorporated (US) | 2008-11-26 | — | — | EP | disclosed |