Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7313554 | 1.00 | ALDH1A1 (0.39) | ALDH1A1POLBMAPTCYP1A2SMN1; SMN2 | |
| SCHEMBL6345936 | 0.80 | MAPT (0.41) | ALDH1A1POLBMAPTCYP1A2SMN1; SMN2 | |
| SCHEMBL7634160 | 0.80 | ALDH1A1 (0.35) | ALDH1A1POLBMAPTCYP1A2SMN1; SMN2 | |
| SCHEMBL7634164 | 0.80 | ALDH1A1 (0.35) | ALDH1A1POLBMAPTCYP1A2SMN1; SMN2 | |
| SCHEMBL31693587 | 0.75 | CYP1A2 (0.37) | ALDH1A1POLBMAPTCYP1A2SMN1; SMN2 | |
| SCHEMBL932446 | 0.69 | POLB (0.53) | ALDH1A1POLBMAPTSMN1; SMN2CYP3A4 | |
| Hydrochloric Acid SCHEMBL28352217 | 0.68 | POLB (0.52) | ALDH1A1POLBMAPTSMN1; SMN2CYP3A4 | |
| SCHEMBL29068053 | 0.67 | POLB (0.54) | ALDH1A1POLBMAPTSMN1; SMN2CYP3A4 | |
| SCHEMBL11307625 | 0.66 | ITGB1 (0.55) | ALDH1A1POLBMAPTCYP1A2SMN1; SMN2 | |
| SCHEMBL12480441 | 0.66 | HTT (0.53) | ALDH1A1POLBMAPTCYP1A2SMN1; SMN2 |
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-0741133-A2 | Adhesion receptor antagonists | MERCK PATENT GmbH (DE) | 1996-11-06 | — | — | EP | disclosed |