Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 3/20 | 0.47 |
| ▸ | ALPL | P05186 | 1/20 | 0.47 |
| ▸ | TTK | P33981 | 1/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL516645 | 0.83 | KDM4E (0.58) | CYP1A2KDM4EALDH1A1NPC1TP53 | |
| SCHEMBL30163026 | 0.83 | KDM4E (0.58) | CYP1A2KDM4EALDH1A1NPC1TP53 | |
| SCHEMBL1023212 | 0.78 | CYP1A2 (0.63) | CYP1A2KDM4EALDH1A1NPC1TP53 | |
| SCHEMBL9041896 | 0.76 | CYP1A2 (0.61) | CYP1A2KDM4EALDH1A1NPC1TP53 | |
| SCHEMBL6480580 | 0.76 | CYP1A2 (1.00) | CYP1A2KDM4EALDH1A1NPC1TP53 | |
| SCHEMBL9042255 | 0.76 | KDM4E (0.73) | CYP1A2KDM4EALDH1A1NPC1TP53 | |
| SCHEMBL25357544 | 0.74 | JAK2 (0.56) | CYP1A2PDPK1IDO1LRRK2CDK2 | |
| SCHEMBL31010860 | 0.74 | MAP2K4 (0.50) | KDM4EALDH1A1GAAGLAHTT | |
| SCHEMBL30310978 | 0.74 | ITK (0.45) | CYP1A2NPC1POLBMAP2K4CHEK1 | |
| SCHEMBL21591507 | 0.73 | CYP1A2 (0.58) | CYP1A2KDM4EALDH1A1NPC1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009053799-A1 | NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION | GLENMARK PHARMACEUTICALS, S.A. (US) | 2009-04-30 | — | — | WO | disclosed |
| WO-2009053799-A1 | NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION | GLENMARK PHARMACEUTICALS, S.A. (US) | 2009-04-30 | — | — | WO | disclosed |