Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.61 |
| ▸ | RELA | Q04206 | 7/20 | 0.52 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.50 |
| ▸ | ESR1 | P03372 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.50 |
| ▸ | ABL1 | P00519 | 1/20 | 0.50 |
| ▸ | TTR | P02766 | 1/20 | 0.50 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.50 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | BCR | P11274 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | NQO2 | P16083 | 1/20 | 0.50 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.50 |
| ▸ | TUBB | P07437 | 1/20 | 0.50 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.50 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2938818 | 0.80 | FGF23 (0.46) | RELANFE2L2PTGS2ALOX5TUBB4A | |
| SCHEMBL191091 | 0.79 | CHAT (0.45) | TRPA1RELANFE2L2ALOX5CYP19A1 | |
| SCHEMBL191092 | 0.79 | CHAT (0.45) | TRPA1RELANFE2L2ALOX5CYP19A1 | |
| SCHEMBL8591467 | 0.79 | RELA (0.55) | TRPA1RELANFE2L2CYP1A2CYP1A1 | |
| SCHEMBL699621 | 0.77 | TRPA1 (1.00) | TRPA1RELANFE2L2CYP1A2CYP1A1 | |
| SCHEMBL699620 | 0.77 | TRPA1 (1.00) | TRPA1RELANFE2L2CYP1A2CYP1A1 | |
| SCHEMBL8845585 | 0.77 | TRPA1 (1.00) | TRPA1RELANFE2L2CYP1A2CYP1A1 | |
| SCHEMBL7128336 | 0.77 | AHR (0.60) | TRPA1RELANFE2L2CYP1A2CYP1A1 | |
| SCHEMBL5664436 | 0.77 | — | — | |
| SCHEMBL631998 | 0.77 | RELA (0.81) | TRPA1RELANFE2L2CYP1A2CYP1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1978967-B1 | QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS | NOVARTIS AG (CH) | 2010-09-22 | — | — | EP | claimed |
| CN-108558927-B | Silicon stereocenter chiral compound and synthesis method thereof | 杭州师范大学 | 2020-06-19 | — | — | CN | disclosed |
| CN-108558927-A | A kind of silicon Stereocenter chipal compounds and its synthetic method | 杭州师范大学 | 2018-09-21 | — | — | CN | disclosed |
| EP-1978967-B1 | QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS | NOVARTIS AG (CH) | 2010-09-22 | — | — | EP | disclosed |