Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM4 | Q8TD43 | 2/20 | 0.38 |
| ▸ | TRPM5 | Q9NZQ8 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | MARS1 | P56192 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL11526168 | 0.84 | MARS1 (0.52) | MARS1SMPD1HTT | |
| SCHEMBL11526796 | 0.84 | GAA (0.40) | TRPM5MARS1ATMHTTMEN1 | |
| SCHEMBL11524580 | 0.82 | BRD4 (0.34) | TRPM4TRPM5MARS1ATMSMPD1 | |
| SCHEMBL11524422 | 0.78 | TRPM5 (0.42) | TRPM4TRPM5PTGS2NOTUMMEN1 | |
| SCHEMBL11526978 | 0.73 | TRPM5 (0.36) | TRPM4TRPM5PTGS2NOTUM | |
| SCHEMBL11434769 | 0.68 | EPAS1 (0.38) | TRPM4TRPM5ATMMEN1KMT2A | |
| SCHEMBL11662844 | 0.67 | LMNA (0.47) | TRPM4TRPM5PDE4APDE4BPDE4C | |
| SCHEMBL11459539 | 0.66 | ADORA3 (0.47) | TRPM4TRPM5ATMHTTPDE4A | |
| SCHEMBL17203277 | 0.64 | CNR2 (0.67) | PTGS2MARS1SMPD1NOTUMHTT | |
| SCHEMBL11501249 | 0.63 | HTT (0.43) | TRPM4TRPM5ATMHTTPDE4D |
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-4157331-A | SEDATIVES, TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS | HOFFMANN-LA ROCHE INC. (US) | 1979-06-05 | — | — | US | disclosed |
| US-4153799-A | ANXIOLYTICS, SEDATIVES, ANTICONVULSANTS, MUSCLE RELAXANTS, PYRAZOLE INTERMEDIATES | HOFFMANN-LA ROCHE INC. (US) | 1979-05-08 | — | — | US | disclosed |
| US-4130716-A | ANXIOLYTICS, SEDATIVE, MUSCLE RELAXANT, ANTICONVULSANT | HOFFMANN-LA ROCHE INC. (US) | 1978-12-19 | — | — | US | disclosed |