Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.74 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.74 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.66 |
| ▸ | LMNA | P02545 | 3/20 | 0.66 |
| ▸ | GAA | P10253 | 2/20 | 0.66 |
| ▸ | HTT | P42858 | 2/20 | 0.66 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.64 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.64 |
| ▸ | RECQL | P46063 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL5330923 | 1.00 | ALDH1A1 (0.74) | ALDH1A1CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL4020783 | 0.84 | TAAR1 (1.00) | ALDH1A1CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL20456259 | 0.83 | ALDH1A1 (0.68) | ALDH1A1CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL2543476 | 0.80 | SMN1; SMN2 (0.73) | ALDH1A1CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10439379 | 0.79 | SMN1; SMN2 (0.71) | ALDH1A1CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10338537 | 0.79 | SMN1; SMN2 (0.71) | ALDH1A1CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL10439543 | 0.79 | SMN1; SMN2 (0.71) | ALDH1A1CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL703047 | 0.79 | TAS1R3 (1.00) | ALDH1A1CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL703048 | 0.79 | TAS1R3 (1.00) | ALDH1A1CYP2C19CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL14338210 | 0.78 | SMN1; SMN2 (0.69) | ALDH1A1CYP2C19CYP1A2CYP3A4CYP2C9 |
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-2007142431-A1 | NEW NON-PEPTIDE COMPOUNDS, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | EWHA UNIVERSITY - INDUSTRY COLLABORATION FOUNDATION (KR) | 2007-12-13 | — | — | WO | disclosed |