Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | GLS | O94925 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7303079 | 0.91 | SMN1; SMN2 (0.39) | SMN1; SMN2ALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL9217829 | 0.78 | ALDH1A1 (0.47) | SMN1; SMN2ALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL14860743 | 0.74 | CYP2C19 (0.53) | SMN1; SMN2ALDH1A1RAB9APOLBTAAR1 | |
| SCHEMBL9218659 | 0.74 | TAAR1 (0.55) | SMN1; SMN2ALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL8743233 | 0.74 | CYP2C19 (0.50) | SMN1; SMN2ALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL2552560 | 0.73 | CYP2C19 (0.49) | SMN1; SMN2ALDH1A1HPGDHTTCYP2C19 | |
| SCHEMBL7300123 | 0.73 | CYP2C19 (0.49) | SMN1; SMN2ALDH1A1HPGDHTTCYP2C19 | |
| SCHEMBL5144954 | 0.73 | ALDH1A1 (0.51) | SMN1; SMN2ALDH1A1RAB9ANPC1HPGD | |
| Hydrochloric Acid SCHEMBL10746622 | 0.73 | TAAR1 (0.53) | SMN1; SMN2ALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL2585841 | 0.72 | ALDH1A1 (0.45) | SMN1; SMN2ALDH1A1RAB9ANPC1HPGD |
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-0520336-A2 | Aldehyde derivatives and their use as calpain inhibitors | FUJIREBIO Inc. (JP) | 1992-12-30 | — | — | EP | disclosed |