Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 6/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.39 |
| ▸ | PTGES | O14684 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | EIF4E | P06730 | 1/20 | 0.35 |
| ▸ | SYK | P43405 | 2/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | TYK2 | P29597 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13385493 | 0.83 | CYP1A1 (0.36) | CYP1A1CYP1A2CYP1B1PTGESSYK | |
| SCHEMBL13385491 | 0.82 | CYP1A1 (0.36) | CYP1A1CYP1A2CYP1B1PTGESSYK | |
| SCHEMBL11402984 | 0.80 | PTGES (0.44) | CYP1A1CYP1A2CYP1B1PTGESRAB9A | |
| SCHEMBL3276748 | 0.80 | SMN1; SMN2 (0.40) | PTGESRAB9A | |
| SCHEMBL3280715 | 0.77 | CCR1 (0.51) | CYP1A2PTGESHSP90AA1 | |
| SCHEMBL13385412 | 0.76 | RAB9A (0.43) | RAB9AALDH1A1 | |
| SCHEMBL13385408 | 0.76 | PDE2A (0.36) | PTGESEIF4EALDH1A1TYK2 | |
| SCHEMBL3277093 | 0.73 | PTGES (0.40) | PTGESRAB9AHSP90AA1 | |
| SCHEMBL13385407 | 0.72 | CCR1 (0.44) | PTGESRAB9AHSP90AA1 | |
| SCHEMBL28020115 | 0.72 | PDPK1 (0.50) | CYP1A1CYP1A2CYP1B1RAB9AHSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7695728-B2 | 2-substituted pyridines, processes for their preparation and their use for controlling harmful fungi | BASF AKTIENGESELLSCHAFT (DE) | 2010-04-13 | — | — | US | disclosed |
| US-7695728-B2 | 2-substituted pyridines, processes for their preparation and their use for controlling harmful fungi | BASF AKTIENGESELLSCHAFT (DE) | 2010-04-13 | — | — | US | disclosed |
| EP-1761516-B1 | 2, 4, 5, 6-SUBSTITUTED PYRIMIDINES, METHOD FOR THE PRODUCTION AND USE THEREOF FOR COMBATING PARASITIC FUNGI | BASF AG (DE) | 2007-11-28 | — | — | EP | disclosed |