Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | BCL2 | P10415 | 2/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1688929 | 0.82 | MAPT (0.52) | ALDH1A1GAACYP2C9MEN1KMT2A | |
| SCHEMBL1689208 | 0.75 | KDM4E (0.45) | ALDH1A1CYP1A2CYP2D6MEN1KMT2A | |
| SCHEMBL10373808 | 0.74 | ALDH1A1 (0.46) | ALDH1A1GAACYP1A2CYP2D6MEN1 | |
| SCHEMBL2118061 | 0.72 | KDM4E (0.46) | ALDH1A1MEN1KMT2AKDM4ETP53 | |
| SCHEMBL29065800 | 0.70 | ALDH1A1 (0.72) | ALDH1A1GAACYP2C9CYP1A2CYP2C19 | |
| SCHEMBL29065799 | 0.68 | ALDH1A1 (0.73) | ALDH1A1GAACYP2C9CYP1A2CYP2C19 | |
| SCHEMBL1688965 | 0.68 | KDM4E (0.44) | ALDH1A1GAACYP2C9CYP1A2CYP2D6 | |
| SCHEMBL16659835 | 0.66 | TDP1 (0.66) | ALDH1A1MEN1KMT2AKDM4ETP53 | |
| SCHEMBL1689295 | 0.65 | DHFR (0.48) | ALDH1A1CYP1A2CYP2D6MEN1KMT2A | |
| SCHEMBL1033581 | 0.65 | ALDH1A1 (0.53) | ALDH1A1GAACYP2C9CYP1A2CYP2C19 |
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-1807429-A2 | COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY | IRM, LLC (BM) | 2007-07-18 | — | — | EP | claimed |
| WO-2006047516-A2 | COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY | IRM LLC (BM) | 2006-05-04 | — | — | WO | claimed |