Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.46 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.39 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoromethylbenzene SCHEMBL28051440 | 0.74 | TSHR (0.67) | ADORA2AADORA1POLBADORA3ADORA2B | |
| SCHEMBL29158406 | 0.72 | SMN1; SMN2 (0.50) | ADORA2AADORA1POLBADORA3ADORA2B | |
| Benzoguanamine SCHEMBL28208931 | 0.72 | ADORA2A (0.76) | ADORA2AADORA1POLBADORA3ADORA2B | |
| Benzene SCHEMBL19253562 | 0.71 | ADORA2A (0.58) | ADORA2AADORA1POLBADORA3ADORA2B | |
| Biphenyl SCHEMBL183386 | 0.69 | ADORA2A (0.75) | ADORA2AADORA1POLBADORA3ADORA2B | |
| SCHEMBL28836919 | 0.69 | KCNN4 (0.38) | POLBKCNN4SMN1; SMN2NPC1RAB9A | |
| Naphthalene SCHEMBL460426 | 0.68 | ADORA2A (0.57) | ADORA2AADORA1POLBADORA3ADORA2B | |
| SCHEMBL230628 | 0.68 | KCNN4 (0.53) | KCNN4ALOX15ALDH1A1CYP1A2 | |
| SCHEMBL22409559 | 0.66 | ALOX15 (0.67) | ADORA2AADORA1POLBADORA3ADORA2B | |
| SCHEMBL1983968 | 0.65 | TSHR (0.53) | KCNN4NPC1RAB9AKDM4EHSD17B10 |
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-2016093175-A1 | METHOD FOR PRODUCING TRI(HETERO)ARYLACETONITRILE COMPOUND | 国立大学法人名古屋大学 | 2016-06-16 | — | — | WO | disclosed |