Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA5A | P35218 | 1/20 | 0.61 |
| ▸ | SCD | O00767 | 1/20 | 0.51 |
| ▸ | GRM2 | Q14416 | 3/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.45 |
| ▸ | TUBB | P07437 | 2/20 | 0.45 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.45 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.45 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.45 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.45 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.45 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.45 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.45 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.45 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.45 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.45 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.45 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.45 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9857419 | 0.89 | CA5A (0.61) | CA5ASCDGRM2HDAC1USP2 | |
| SCHEMBL30645406 | 0.83 | CA5A (0.72) | CA5ASCDHDAC1ALDH1A1MAPT | |
| SCHEMBL9857405 | 0.83 | CA5A (0.72) | CA5ASCDHDAC1ALDH1A1MAPT | |
| SCHEMBL17283081 | 0.83 | TUBB4A (0.47) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL20344482 | 0.80 | CA5A (0.63) | CA5ASCDGRM2TUBB4ATUBB | |
| SCHEMBL9857834 | 0.78 | CA5A (0.73) | CA5ASCDGRM2HDAC1ALDH1A1 | |
| SCHEMBL15964868 | 0.78 | CA5A (0.65) | CA5ASCDGRM2TUBB4ATUBB | |
| Rufinamide SCHEMBL230448 | 0.76 | CA5A (1.00) | CA5ASCDGRM2ALDH1A1KLKB1 | |
| Rufinamide SCHEMBL20769779 | 0.76 | CA5A (1.00) | CA5ASCDGRM2ALDH1A1KLKB1 | |
| SCHEMBL9714457 | 0.76 | GRM2 (0.43) | CA5AGRM2RIPK1DPP4MAPK8 |
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 |