Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | KCNK3 | O14649 | 3/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 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 | |
|---|---|---|---|---|
| SCHEMBL9857331 | 0.90 | TP53 (0.41) | TP53MAPTADORA3ADORA2AADORA2B | |
| SCHEMBL9857450 | 0.84 | GRM2 (0.45) | MAPTADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL10666237 | 0.83 | NPC1 (0.48) | TP53MAPTKDM4ESMN1; SMN2HDAC1 | |
| SCHEMBL9857464 | 0.79 | CA5A (0.44) | TP53MAPTKDM4EADORA3ADORA2A | |
| SCHEMBL9857412 | 0.78 | CA5A (0.55) | TP53KDM4EADORA3ADORA2AADORA2B | |
| SCHEMBL9857903 | 0.75 | CA5A (0.46) | MAPTKDM4EMEN1KMT2AHSD17B10 | |
| SCHEMBL9857974 | 0.73 | LMNA (0.49) | TP53MAPTSMN1; SMN2POLBMEN1 | |
| SCHEMBL18320969 | 0.73 | PTGDR2 (0.38) | TP53MAPTKDM4EADORA3ADORA2A | |
| SCHEMBL9857419 | 0.72 | CA5A (0.61) | TP53MAPTKDM4ESMN1; SMN2HDAC1 | |
| SCHEMBL10665851 | 0.72 | NPC1 (0.48) | TP53ADORA3ADORA2AADORA2BADORA1 |
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 5 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 | claimed |
| EP-0199262-A2 | Fluorinated benzyl triazole compounds | CIBA-GEIGY AG (CH) | 1986-10-29 | — | — | EP | claimed |
| 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 |