Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | STAT1 | P42224 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6173883 | 0.76 | TRPA1 (0.39) | TRPA1CA12CA9ALOX5ALDH1A1 | |
| SCHEMBL6171944 | 0.71 | LMNA (0.36) | TRPA1CA12CA9ALOX5ALDH1A1 | |
| Urea SCHEMBL8887503 | 0.68 | TRPA1 (0.40) | TRPA1ATM | |
| SCHEMBL6190907 | 0.68 | LMNA (0.34) | TRPA1ALDH1A1KMT2AATM | |
| SCHEMBL10411978 | 0.67 | ALOX5 (0.48) | ALOX5ALDH1A1KMT2ANPC1HPGD | |
| Hydrochloric Acid SCHEMBL8205122 | 0.67 | LMNA (0.33) | TRPA1ALDH1A1KMT2AATM | |
| Hydrochloric Acid SCHEMBL8206694 | 0.67 | LMNA (0.33) | TRPA1ALDH1A1KMT2AATM | |
| SCHEMBL6190912 | 0.67 | TRPA1 (0.42) | TRPA1ATM | |
| SCHEMBL861555 | 0.66 | TRPA1 (0.32) | TRPA1 | |
| Hydrochloric Acid SCHEMBL8205658 | 0.66 | TRPA1 (0.41) | TRPA1 |
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-1496838-A4 | SUBSTITUTED AMIDES | MERCK & CO INC (US) | 2008-07-02 | — | — | EP | claimed |
| EP-1496838-A2 | SUBSTITUTED AMIDES | Merck & Co., Inc. (US) | 2005-01-19 | — | — | EP | claimed |
| WO-2003077847-A2 | SUBSTITUTED AMIDES | MERCK & CO., INC. (US) | 2003-09-25 | — | — | WO | claimed |