Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.58 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | AURKA | O14965 | 6/20 | 0.49 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.47 |
| ▸ | JAK2 | O60674 | 2/20 | 0.47 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 2/20 | 0.47 |
| ▸ | CDC7 | O00311 | 1/20 | 0.47 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.47 |
| ▸ | PAK4 | O96013 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.47 |
| ▸ | FLT3 | P36888 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | CDK9 | P50750 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | MELK | Q14680 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL28037898 | 0.84 | KCNH2 (0.54) | PTK2RAB9ASMN1; SMN2JAK2MAPK8 | |
| SCHEMBL14214726 | 0.84 | KDM4E (0.50) | TRPV1PTK2RAB9ASMN1; SMN2JAK2 | |
| SCHEMBL28051330 | 0.83 | ADORA3 (0.59) | TRPV1SMN1; SMN2CDK2STK17AKCNH3 | |
| SCHEMBL4584219 | 0.82 | TRPV1 (0.54) | TRPV1PTK2NPC1RAB9ASMN1; SMN2 | |
| Trifluoromethylbenzene SCHEMBL28051329 | 0.82 | LMNA (0.61) | TRPV1NPC1RAB9ASMN1; SMN2AURKA | |
| SCHEMBL6033558 | 0.80 | APP (0.48) | TRPV1SMN1; SMN2CDK2KCNH3CTSC | |
| SCHEMBL28051435 | 0.78 | KDM4E (0.56) | AURKACDC7KCNH3CTSCCDK1 | |
| SCHEMBL28051498 | 0.77 | IDH2 (0.53) | PTK2RAB9ASMN1; SMN2JAK2CDK2 | |
| SCHEMBL13801564 | 0.75 | TRPV1 (0.66) | TRPV1 | |
| SCHEMBL18434160 | 0.75 | HDAC3 (0.54) | TRPV1PTK2NPC1RAB9ASMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105294588-A | Fluorotriazine-containing derivative, and preparation method and use thereof | WUHAN INST TECHNOLOGY | 2016-02-03 | — | — | CN | disclosed |