Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | ADH5 | P11766 | 1/20 | 0.53 |
| ▸ | HPGDS | O60760 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | XDH | P47989 | 5/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | RPA1 | P27694 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27332075 | 0.78 | TP53 (0.44) | TP53NPC1RAB9ANPSR1ADH5 | |
| SCHEMBL3584374 | 0.77 | ADH5 (0.59) | TP53NPC1RAB9ANPSR1ADH5 | |
| SCHEMBL888893 | 0.75 | CHRNA7 (0.36) | TP53NPC1RAB9AALDH1A1CYP2A6 | |
| SCHEMBL1346207 | 0.75 | TP53 (1.00) | TP53NPC1RAB9ANPSR1ADH5 | |
| SCHEMBL2725824 | 0.74 | RPA1 (0.61) | TP53NPC1RAB9ANPSR1ADH5 | |
| SCHEMBL1732858 | 0.74 | ADH5 (0.59) | TP53ADH5HPGDSALDH1A1XDH | |
| SCHEMBL9984638 | 0.73 | ADH5 (0.95) | TP53NPC1RAB9ANPSR1ADH5 | |
| SCHEMBL11994390 | 0.73 | CYP2A6 (0.45) | TP53NPC1RAB9AALDH1A1CYP2A6 | |
| SCHEMBL14092293 | 0.71 | TP53 (0.49) | TP53NPC1RAB9ANPSR1ADH5 | |
| SCHEMBL21880313 | 0.71 | TP53 (0.61) | TP53NPC1RAB9ANPSR1ADH5 |
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 |
|---|---|---|---|---|---|---|---|
| US-7700774-B2 | Heterocyclic compounds and their pharmaceutical compositions | DR. REDDY'S LABORATORIES LTD. (IN) | 2010-04-20 | — | — | US | disclosed |