Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 8/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RHOC | P08134 | 1/20 | 0.37 |
| ▸ | RHOA | P61586 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CCR2 | P41597 | 2/20 | 0.37 |
| ▸ | NNMT | P40261 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7107168 | 0.92 | TRPA1 (0.45) | TRPA1CYP1A2TAS1R3TAS1R1RHOC | |
| SCHEMBL7113950 | 0.84 | TRPA1 (0.48) | TRPA1CYP1A2RHOCRHOANPSR1 | |
| SCHEMBL7112432 | 0.82 | P2RX1 (0.40) | ALDH1A1NPSR1NNMTHDAC3BCHE | |
| SCHEMBL7107910 | 0.79 | NPSR1 (0.41) | TAS1R3TAS1R1RHOCRHOANPSR1 | |
| SCHEMBL5120346 | 0.76 | TRPA1 (0.63) | TRPA1CYP1A2ALDH1A1POLB | |
| SCHEMBL7154000 | 0.71 | L3MBTL1 (0.42) | CYP1A2TAS1R3TAS1R1ALDH1A1NPSR1 | |
| SCHEMBL6231746 | 0.70 | TRPA1 (0.56) | TRPA1CYP1A2ALDH1A1POLB | |
| SCHEMBL5119105 | 0.68 | TRPA1 (0.53) | TRPA1CYP1A2ALDH1A1POLBRHOC | |
| SCHEMBL13753102 | 0.68 | ALDH1A1 (0.72) | TRPA1CYP1A2ALDH1A1POLBRHOC | |
| SCHEMBL7112858 | 0.66 | CCR2 (0.44) | ALDH1A1CCR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1351924-A2 | DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Pharma Company (US) | 2003-10-15 | — | — | EP | claimed |
| WO-2002050019-A2 | DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB PHARMA CO. (US) | 2002-06-27 | — | — | WO | claimed |