Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | LIPC | P11150 | 1/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CCR2 | P41597 | 4/20 | 0.38 |
| ▸ | CCR5 | P51681 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7168919 | 0.81 | RXFP1 (0.41) | L3MBTL1PLK1NPSR1MAPTALDH1A1 | |
| SCHEMBL3888029 | 0.78 | LIPC (0.60) | L3MBTL1PLK1HDAC3HDAC1HDAC2 | |
| SCHEMBL7109974 | 0.77 | RXFP1 (0.51) | PLK1NPSR1MAPTCCR2CCR5 | |
| SCHEMBL7112858 | 0.77 | CCR2 (0.44) | CCR2ALDH1A1 | |
| SCHEMBL7109818 | 0.74 | RXFP1 (0.51) | CCR2TSHRALDH1A1RXFP1GAA | |
| SCHEMBL7155398 | 0.71 | TRPA1 (0.50) | HDAC3HDAC1HDAC2NPSR1CCR2 | |
| SCHEMBL3888815 | 0.70 | LIPC (0.63) | PLK1LIPCLIPGCYP1A2ALDH1A1 | |
| SCHEMBL14015050 | 0.69 | L3MBTL1 (0.51) | L3MBTL1PLK1HDAC3HDAC1HDAC2 | |
| SCHEMBL7107168 | 0.68 | TRPA1 (0.45) | NPSR1CCR2CYP1A2TAS1R3TAS1R1 | |
| SCHEMBL16737192 | 0.67 | PLK1 (0.53) | PLK1LIPCLIPGSMN1; SMN2CYP2C19 |
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 |