Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | LSS | P48449 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10056812 | 0.88 | CYP2C19 (0.55) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 | |
| SCHEMBL10057404 | 0.88 | CYP2C19 (0.55) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 | |
| SCHEMBL10056203 | 0.86 | SMN1; SMN2 (0.49) | MEN1KMT2AALDH1A1HPGDRAB9A | |
| SCHEMBL15044457 | 0.85 | HPGD (0.50) | KMT2AALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL10057406 | 0.84 | CYP2C9 (0.57) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 | |
| SCHEMBL10057425 | 0.82 | CYP2C9 (0.59) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 | |
| SCHEMBL10055708 | 0.82 | CYP2C9 (0.55) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 | |
| SCHEMBL10057397 | 0.82 | CYP2C19 (0.51) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 | |
| SCHEMBL15043962 | 0.81 | CYP2C19 (0.62) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 | |
| SCHEMBL10055383 | 0.81 | CYP2C9 (0.54) | CYP2C19CYP2C9MEN1KMT2AALDH1A1 |
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-2013089212-A1 | SUBSTITUTED TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | 塩野義製薬株式会社 (JP) | 2013-06-20 | — | — | WO | disclosed |