Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9795421 | 1.00 | CYP2D6 (0.35) | CYP2D6ALDH1A1CYP3A4CYP2C19NPSR1 | |
| SCHEMBL9795354 | 0.99 | L3MBTL1 (0.35) | CYP2D6ALDH1A1CYP3A4CYP2C19NPSR1 | |
| SCHEMBL9795333 | 0.99 | L3MBTL1 (0.35) | CYP2D6ALDH1A1CYP3A4CYP2C19NPSR1 | |
| SCHEMBL9795301 | 0.91 | TDP1 (0.39) | ALDH1A1CYP3A4CYP2C19TMEM97L3MBTL1 | |
| SCHEMBL9795491 | 0.83 | — | — | |
| SCHEMBL9795264 | 0.81 | TPSAB1 (0.31) | — | |
| SCHEMBL9795506 | 0.79 | SMN1; SMN2 (0.35) | TSHRSMN1; SMN2 | |
| SCHEMBL9795297 | 0.76 | — | — | |
| SCHEMBL9795174 | 0.74 | FPR3 (0.31) | — | |
| SCHEMBL9501651 | 0.73 | CA12 (0.41) | ALDH1A1TMEM97CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5037849-A | For treatment of heart and circulatory diseases | BOEHRINGER MANNHEIM GMBH (DE) | 1991-08-06 | — | — | US | disclosed |