Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.46 |
| ▸ | MIF | P14174 | 3/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6532336 | 0.91 | NOTUM (0.47) | NOTUMMIFSIGMAR1MAOBMAOA | |
| SCHEMBL6532001 | 0.91 | F10 (0.43) | NOTUMMIFCA1CA2CA9 | |
| SCHEMBL6529489 | 0.90 | NOTUM (0.47) | NOTUMMIFMAOBMAOACA1 | |
| SCHEMBL6531150 | 0.90 | NOTUM (0.42) | NOTUMMIFCA1CA2CA9 | |
| SCHEMBL6527596 | 0.90 | NOTUM (0.42) | NOTUMMIFCA1CA2CA9 | |
| SCHEMBL6530200 | 0.89 | NOTUM (0.41) | NOTUMMIFCA1CA2CA9 | |
| SCHEMBL6529976 | 0.89 | NOTUM (0.41) | NOTUMMIFCA1CA2CA9 | |
| SCHEMBL6532325 | 0.89 | NOTUM (0.47) | NOTUMMIFSIGMAR1MAOBMAOA | |
| SCHEMBL6527037 | 0.88 | NOTUM (0.41) | NOTUMMIFCA1CA2CA9 | |
| SCHEMBL6532028 | 0.88 | NOTUM (0.40) | NOTUMMIFCA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005082892-A2 | TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2005-09-09 | — | — | WO | disclosed |