Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.49 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28571765 | 0.89 | PIN1 (0.47) | PIN1KCNN4ALDH1A1RECQLMMP8 | |
| SCHEMBL28481278 | 0.87 | PIN1 (0.46) | PIN1KCNN4ALDH1A1RECQLMMP8 | |
| Hydrochloric Acid SCHEMBL6510983 | 0.84 | CYP3A4 (0.48) | PIN1ALDH1A1RECQLMMP8POLB | |
| SCHEMBL6529359 | 0.83 | MAPT (0.48) | KCNN4CHRM2CHRM1CHRM3MAPT | |
| SCHEMBL2729130 | 0.82 | CES1 (0.46) | KCNN4ALDH1A1CHRM2CHRM1CHRM3 | |
| SCHEMBL22418736 | 0.82 | KCNN4 (0.43) | KCNN4ALDH1A1CHRM2CHRM1CHRM3 | |
| SCHEMBL18901487 | 0.81 | CES1 (0.44) | KCNN4ALDH1A1CHRM2CHRM1CHRM3 | |
| SCHEMBL341296 | 0.79 | PIN1 (0.51) | PIN1KCNN4ALDH1A1RECQLMMP8 | |
| SCHEMBL27916287 | 0.79 | CES1 (0.56) | PIN1KCNN4ALDH1A1RECQLMMP8 | |
| SCHEMBL28421404 | 0.78 | PIN1 (0.50) | PIN1KCNN4ALDH1A1RECQLMMP8 |
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-6235738-B1 | BRAIN DISORDERS; ANTIISCHEMIC AGENTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2001-05-22 | — | — | US | disclosed |