Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | CASR | P41180 | 4/20 | 0.39 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL7271496 | 0.85 | SMN1; SMN2 (0.41) | CYP1A2PPARGPPARA | |
| SCHEMBL7273150 | 0.76 | CTSK (0.41) | CYP1A2PPARGPPARA | |
| SCHEMBL9313693 | 0.76 | TDP1 (0.41) | CYP1A2KMT2ACASRSLC1A3SLC1A2 | |
| SCHEMBL7300495 | 0.71 | TRPA1 (0.41) | CYP2A6CASRHTR2A | |
| SCHEMBL7271492 | 0.71 | SMN1; SMN2 (0.42) | CYP1A2PPARGPPARA | |
| SCHEMBL915503 | 0.69 | RAB9A (0.50) | CYP1A2CYP2A6ALOX5RAB9ASLC1A3 | |
| SCHEMBL9312893 | 0.69 | PTPN1 (0.39) | CYP1A2KMT2AALOX5RAB9APPARG | |
| SCHEMBL8872531 | 0.68 | CYP1A2 (0.53) | CYP1A2CYP2A6ALOX5SLC13A5SLC1A3 | |
| SCHEMBL128991 | 0.67 | CYP1A2 (0.60) | CYP1A2CYP2A6KMT2ARAB9AHTR2A | |
| SCHEMBL8852223 | 0.67 | CYP2A6 (0.55) | CYP1A2CYP2A6KMT2ACASRHTR2A |
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 |
|---|---|---|---|---|---|---|---|
| US-5330978-A | Cardiovascular disorders, hypotensive agents, vasodilation | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-07-19 | — | — | US | disclosed |