Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | CA5A | P35218 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 3/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.63 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | PRSS12 | P56730 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.42 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL460913 | 0.90 | CA5A (0.76) | CYP2C19CA5ALMNAALDH1A1KLKB1 | |
| SCHEMBL9857399 | 0.88 | CA5A (0.82) | CYP2C19CA5ALMNAALDH1A1KLKB1 | |
| SCHEMBL9858012 | 0.81 | CYP2C19 (0.56) | CYP2C19CA5ALMNAALDH1A1EGFR | |
| SCHEMBL460954 | 0.81 | CA5A (0.74) | CYP2C19CA5ALMNAALDH1A1KLKB1 | |
| SCHEMBL10664054 | 0.78 | CA5A (0.70) | CYP2C19CA5ALMNAALDH1A1KLKB1 | |
| SCHEMBL10662617 | 0.78 | TYR (0.53) | CYP2C19LMNAALDH1A1KMT2AMEN1 | |
| Rufinamide SCHEMBL230448 | 0.78 | CA5A (1.00) | CYP2C19CA5ALMNAALDH1A1KLKB1 | |
| SCHEMBL9858144 | 0.78 | CA5A (0.55) | CA5ALMNAALDH1A1DPP4KMT2A | |
| Rufinamide SCHEMBL20769779 | 0.78 | CA5A (1.00) | CYP2C19CA5ALMNAALDH1A1KLKB1 | |
| SCHEMBL6738882 | 0.78 | CA5A (0.74) | CYP2C19CA5ALMNAALDH1A1KLKB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0199262-B1 | FLUORINATED BENZYL TRIAZOLE COMPOUNDS | CIBA-GEIGY AG (CH) | 1991-02-27 | — | — | EP | disclosed |
| US-4789680-A | Aralkyltriazole compounds | CIBA-GEIGY CORPORATION (US) | 1988-12-06 | — | — | US | disclosed |
| EP-0199262-A2 | Fluorinated benzyl triazole compounds | CIBA-GEIGY AG (CH) | 1986-10-29 | — | — | EP | disclosed |