Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.33 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 2/20 | 0.31 |
| ▸ | DRD3 | P35462 | 2/20 | 0.31 |
| ▸ | PNMT | P11086 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7038650 | 0.69 | TRPA1 (0.44) | TRPA1IMPDH2IMPDH1CYP19A1NOS3 | |
| SCHEMBL8276 | 0.67 | TRPA1 (0.41) | TRPA1 | |
| SCHEMBL28414758 | 0.66 | SNCA (0.37) | IMPDH2IMPDH1HDAC4HDAC7HDAC8 | |
| SCHEMBL11017385 | 0.66 | TRPA1 (0.44) | TRPA1CYP19A1NOS3NOS1NOS2 | |
| SCHEMBL27711972 | 0.66 | IMPDH2 (0.36) | TRPA1IMPDH2IMPDH1CYP19A1DRD2 | |
| SCHEMBL14217829 | 0.64 | TRPA1 (0.40) | TRPA1NOS3NOS1NOS2DRD2 | |
| SCHEMBL28039609 | 0.63 | PNMT (0.42) | TRPA1CYP19A1NOS3NOS1NOS2 | |
| SCHEMBL9507653 | 0.62 | SNCA (0.47) | IMPDH2IMPDH1HDAC4HDAC7HDAC8 | |
| SCHEMBL9511458 | 0.62 | SNCA (0.47) | IMPDH2IMPDH1HDAC4HDAC7HDAC8 | |
| SCHEMBL21341328 | 0.62 | IMPDH2 (0.33) | IMPDH2IMPDH1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20190276744-A1 | LIQUID CRYSTAL COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2019-09-12 | — | — | US | disclosed |
| WO-2006088798-A2 | MODULATION OF HYPOTHALAMIC ATP-SENSITIVE POTASSIUM CHANNELS | ALBERT EINSTEIN COLLEGE OF MEDICINE OF YESHIVA UNIVERSITY (US) | 2006-08-24 | — | — | WO | disclosed |