Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 4/20 | 0.40 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.34 |
| ▸ | HRH1 | P35367 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | HRH2 | P25021 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL8367573 | 0.88 | TRPA1 (0.41) | TRPA1PTGES2SIRT2SIRT1LMNA | |
| SCHEMBL8368404 | 0.85 | TRPA1 (0.38) | TRPA1PTGES2SIRT2SIRT1LMNA | |
| SCHEMBL8517744 | 0.83 | TRPA1 (0.37) | TRPA1PTGES2SIRT2SIRT1LMNA | |
| SCHEMBL8367574 | 0.82 | VKORC1 (0.38) | LMNACHRM2CHRM5CHRM1CHRM3 | |
| SCHEMBL8370528 | 0.82 | TRPA1 (0.40) | TRPA1PTGES2LMNACYP2C9GAA | |
| SCHEMBL8365997 | 0.81 | TRPA1 (0.38) | TRPA1LMNACHRM2CHRM5CHRM1 | |
| SCHEMBL8365939 | 0.80 | VKORC1 (0.36) | LMNAESR1MAPTGAAVKORC1 | |
| SCHEMBL8517032 | 0.79 | GAA (0.35) | TRPA1PTGES2SIRT2SIRT1LMNA | |
| SCHEMBL8370499 | 0.79 | TRPA1 (0.38) | TRPA1LMNACHRM2CHRM5CHRM1 | |
| SCHEMBL8367496 | 0.78 | TRPA1 (0.42) | TRPA1LMNAMAPTCYP2C9VKORC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0714785-B1 | Sulfonated phenol (salt) containing color-developing agents and color-developing sheets | MITSUI CHEMICALS INC (JP) | 1999-01-07 | — | — | EP | disclosed |
| US-5647896-A | MULTIVALENT SALT OF A SALICYLIC ACID DERIVATIVE, SULFONATED PHENOL | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-07-15 | — | — | US | disclosed |
| EP-0714785-A1 | Sulfonated phenol (salt) containing color-developing agents and color-developing sheets | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1996-06-05 | — | — | EP | disclosed |