Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MYC | P01106 | 1/20 | 0.47 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | HNF4A | P41235 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8385 | 0.83 | ALDH1A1 (0.59) | ALDH1A1ALOX15KMT2AKDM4ECA12 | |
| SCHEMBL36145 | 0.82 | ALDH1A1 (0.72) | ALDH1A1ALOX15CYP3A4CYP2C9ALOX12 | |
| SCHEMBL30028907 | 0.82 | ALDH1A1 (0.72) | ALDH1A1ALOX15CYP3A4CYP2C9ALOX12 | |
| SCHEMBL1343584 | 0.82 | CYP3A4 (0.49) | ALDH1A1ALOX15CYP3A4CYP2C9ALOX12 | |
| SCHEMBL10697723 | 0.81 | CYP3A4 (0.47) | ALDH1A1ALOX15CYP3A4CYP2C9ALOX12 | |
| Hydrochloric Acid SCHEMBL7579852 | 0.80 | ALDH1A1 (0.68) | ALDH1A1ALOX15CYP3A4CYP2C9ALOX12 | |
| Hydrochloric Acid SCHEMBL1681943 | 0.80 | ALDH1A1 (0.68) | ALDH1A1ALOX15CYP3A4CYP2C9ALOX12 | |
| Hydrochloric Acid SCHEMBL10888462 | 0.80 | ALDH1A1 (0.68) | ALDH1A1ALOX15CYP3A4CYP2C9ALOX12 | |
| SCHEMBL2830888 | 0.80 | ALDH1A1 (0.68) | ALDH1A1ALOX15CYP3A4CYP2C9ALOX12 | |
| SCHEMBL30620175 | 0.80 | ALDH1A1 (0.68) | ALDH1A1ALOX15CYP3A4CYP2C9ALOX12 |
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-0411334-A1 | Antiherpes pentapeptide derivatives having a substituted aspartic acid side chain | BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) | 1991-02-06 | — | — | EP | claimed |