Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | ACE | P12821 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3080821 | 1.00 | TRPA1 (0.35) | TRPA1SIGMAR1TAAR1SLC6A4SLC6A2 | |
| SCHEMBL10338368 | 0.88 | BDKRB2 (0.35) | TRPA1SIGMAR1SLC6A4ESR1ESR2 | |
| SCHEMBL10338370 | 0.88 | BDKRB2 (0.35) | TRPA1SIGMAR1SLC6A4ESR1ESR2 | |
| SCHEMBL3675392 | 0.83 | ESR1 (0.35) | SIGMAR1TAAR1SLC6A4SLC6A2MAOA | |
| SCHEMBL3656635 | 0.80 | SLC6A2 (0.33) | SIGMAR1TAAR1SLC6A4SLC6A2MAOA | |
| SCHEMBL1145021 | 0.80 | TRPA1 (0.41) | TRPA1SIGMAR1TAAR1SLC6A4SLC6A2 | |
| SCHEMBL10497016 | 0.79 | BDKRB2 (0.39) | SIGMAR1MAOAESR1ESR2 | |
| SCHEMBL3077188 | 0.79 | SLC6A4 (0.34) | TRPA1SLC6A4MAOAESR1ESR2 | |
| SCHEMBL6887127 | 0.78 | CHRNB2 (0.35) | — | |
| SCHEMBL28468636 | 0.78 | IDO1 (0.38) | TAAR1SLC6A2SLC6A3CYP2A6 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0372033-B1 | THERMOCHROMIC ESTERS | MERCK PATENT GmbH (DE) | 1993-08-11 | — | — | EP | claimed |
| WO-2023137133-A2 | PROCESS FOR THE SELECTIVE CATALYTIC HYDROGENATION OF DIENONES | BASF SE (DE) | 2023-07-20 | — | — | WO | disclosed |
| EP-0617730-A1 | THERMOCHROMIC EFFECT PIGMENT AND PROCESS FOR PRODUCING THE SAME. | MERCK PATENT GMBH (DE) | 1994-10-05 | — | — | EP | disclosed |
| WO-1993012195-A1 | THERMOCHROMIC EFFECT PIGMENT AND PROCESS FOR PRODUCING THE SAME | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1993-06-24 | — | — | WO | disclosed |
| WO-1989002093-A1 | LIQUID CRYSTAL MICELLES, DISPLAY, HAVING CONCENTRIC SPHERES | MOLECULAR CONTROL CORPORATION (US) | 1989-03-09 | — | — | WO | disclosed |
| US-4688901-A | Liquid crystal light valve method and apparatus using right and left-handed twist cholesteric liquid crystal | JOHNSON LIGHT VALVE INC. (US) | 1987-08-25 | — | — | US | disclosed |