Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.35 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.35 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | GLS | O94925 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7302765 | 0.91 | SMN1; SMN2 (0.40) | SMN1; SMN2ALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL9220272 | 0.76 | TAAR1 (0.57) | SMN1; SMN2ALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL9217829 | 0.76 | ALDH1A1 (0.47) | SMN1; SMN2ALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL2553408 | 0.75 | CYP2C19 (0.46) | SMN1; SMN2ALDH1A1HPGDHTTCYP2C19 | |
| SCHEMBL7306770 | 0.75 | CYP2C19 (0.46) | SMN1; SMN2ALDH1A1HPGDHTTCYP2C19 | |
| SCHEMBL9212292 | 0.74 | TAAR1 (0.55) | SMN1; SMN2ALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL9218766 | 0.73 | TAAR1 (0.53) | SMN1; SMN2ALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL9215812 | 0.73 | TAAR1 (0.53) | SMN1; SMN2ALDH1A1RAB9ANPC1HPGD | |
| SCHEMBL7303518 | 0.73 | CYP2D6 (0.46) | ALDH1A1RAB9ANPC1HPGDMAPT | |
| SCHEMBL7029671 | 0.73 | TAAR1 (0.42) | 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 |