Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.41 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.41 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL8471114 | 0.98 | ALDH1A1 (0.45) | ALDH1A1CYP1A2HTTSMN1; SMN2CDK1 | |
| SCHEMBL4535746 | 0.80 | SMN1; SMN2 (0.50) | ALDH1A1CYP1A2HTTSMN1; SMN2CDK1 | |
| SCHEMBL31155580 | 0.80 | SMN1; SMN2 (0.50) | ALDH1A1CYP1A2HTTSMN1; SMN2CDK1 | |
| SCHEMBL27456953 | 0.78 | CYP1A2 (0.42) | ALDH1A1CYP1A2HTTSMN1; SMN2CDK1 | |
| SCHEMBL27920418 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CYP1A2HTTSMN1; SMN2CYP3A4 | |
| SCHEMBL1438547 | 0.76 | MAPT (0.51) | ALDH1A1CYP1A2CYP3A4NAMPTXDH | |
| SCHEMBL27350722 | 0.76 | KMT2A (0.51) | ALDH1A1CYP1A2HTTSMN1; SMN2CYP3A4 | |
| SCHEMBL11150396 | 0.76 | TXNRD1 (0.49) | ALDH1A1CYP1A2SMN1; SMN2CYP3A4NAMPT | |
| SCHEMBL27981594 | 0.76 | ALDH1A1 (0.46) | ALDH1A1CYP1A2HTTSMN1; SMN2CYP3A4 | |
| SCHEMBL24207471 | 0.76 | KDM4E (0.45) | ALDH1A1CYP1A2HTTSMN1; SMN2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0892789-A1 | IRREVERSIBLE INHIBITORS OF TYROSINE KINASES | WARNER-LAMBERT COMPANY (US) | 1999-01-27 | — | — | EP | disclosed |
| WO-1997038983-A1 | IRREVERSIBLE INHIBITORS OF TYROSINE KINASES | WARNER-LAMBERT COMPANY (US) | 1997-10-23 | — | — | WO | disclosed |