Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 2/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | CLPP | Q16740 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | RHOC | P08134 | 1/20 | 0.34 |
| ▸ | RHOA | P61586 | 1/20 | 0.34 |
| ▸ | NOTUM | Q6P988 | 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 | |
|---|---|---|---|---|
| SCHEMBL2789112 | 0.80 | NPSR1 (0.61) | NPSR1GAATAS1R3TAS1R1PTGS1 | |
| SCHEMBL7112432 | 0.80 | P2RX1 (0.40) | NPSR1HDAC8HDAC3HDAC6 | |
| SCHEMBL7107168 | 0.80 | TRPA1 (0.45) | NPSR1CCR2TAS1R3TAS1R1TACR1 | |
| SCHEMBL7155398 | 0.79 | TRPA1 (0.50) | NPSR1CCR2TAS1R3TAS1R1TACR1 | |
| SCHEMBL7112858 | 0.75 | CCR2 (0.44) | CCR2PTGS1 | |
| SCHEMBL1927538 | 0.75 | GAA (0.49) | NPSR1GAAPTGS1TACR1CES2 | |
| SCHEMBL7113950 | 0.75 | TRPA1 (0.48) | NPSR1TACR1RHOCRHOA | |
| Hydrochloric Acid SCHEMBL583552 | 0.74 | GAA (0.47) | NPSR1GAAPTGS1TACR1CES2 | |
| SCHEMBL15542726 | 0.74 | GAA (0.50) | GAAPTGS1TACR1CES2HDAC8 | |
| SCHEMBL4974165 | 0.70 | CES2 (0.50) | GAAPTGS1CES2NOTUM |
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 |