Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 6/20 | 0.38 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 2/20 | 0.36 |
| ▸ | PRKCG | P05129 | 2/20 | 0.36 |
| ▸ | PRKCB | P05771 | 2/20 | 0.36 |
| ▸ | PRKCA | P17252 | 2/20 | 0.36 |
| ▸ | PRKCH | P24723 | 2/20 | 0.36 |
| ▸ | PRKCI | P41743 | 2/20 | 0.36 |
| ▸ | PRKCE | Q02156 | 2/20 | 0.36 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.36 |
| ▸ | PRKCZ | Q05513 | 2/20 | 0.36 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.36 |
| ▸ | PRKD1 | Q15139 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.33 |
| ▸ | SPHK2 | Q9NRA0 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6529761 | 0.95 | ALDH1A1 (0.48) | ALDH1A1EPHX1ENPP2LPAR2CYP1A2 | |
| SCHEMBL6530855 | 0.87 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL6530475 | 0.79 | — | — | |
| SCHEMBL50924 | 0.76 | — | — | |
| SCHEMBL1682675 | 0.76 | — | — | |
| SCHEMBL5605198 | 0.76 | — | — | |
| SCHEMBL23495987 | 0.74 | ALDH1A1 (1.00) | ALDH1A1EPHX1ENPP2LPAR2CYP1A2 | |
| SCHEMBL10787246 | 0.74 | ALDH1A1 (1.00) | ALDH1A1EPHX1ENPP2LPAR2CYP1A2 | |
| SCHEMBL284277 | 0.74 | ALDH1A1 (1.00) | ALDH1A1EPHX1ENPP2LPAR2CYP1A2 | |
| SCHEMBL5313598 | 0.74 | ALDH1A1 (1.00) | ALDH1A1EPHX1ENPP2LPAR2CYP1A2 |
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 |