Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 4/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | PKLR | P30613 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 4/20 | 0.46 |
| ▸ | ICMT | O60725 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.45 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP3 | P08254 | 1/20 | 0.45 |
| ▸ | MMP13 | P45452 | 1/20 | 0.45 |
| ▸ | ACLY | P53396 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4621521 | 1.00 | ITGAV (0.70) | ITGAVCYP3A4CYP2C19PKLRPOLB | |
| SCHEMBL4621068 | 1.00 | ITGAV (0.70) | ITGAVCYP3A4CYP2C19PKLRPOLB | |
| SCHEMBL4618939 | 0.81 | ITGAV (0.60) | ITGAVCYP3A4CYP2C19POLBCASP1 | |
| SCHEMBL27692486 | 0.81 | ITGAV (0.67) | ITGAVCYP2C19PKLRPOLBCASP1 | |
| SCHEMBL4620131 | 0.81 | ITGAV (0.60) | ITGAVCYP3A4CYP2C19POLBCASP1 | |
| SCHEMBL4622372 | 0.81 | ITGAV (0.60) | ITGAVCYP3A4CYP2C19POLBCASP1 | |
| SCHEMBL7427061 | 0.80 | CASP1 (0.57) | ITGAVPKLRCASP1ICMTMMP2 | |
| SCHEMBL4623965 | 0.78 | NPC1 (0.46) | ITGAVPKLR | |
| SCHEMBL4621222 | 0.78 | NPC1 (0.46) | ITGAVPKLR | |
| SCHEMBL4621354 | 0.78 | NPC1 (0.46) | ITGAVPKLR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1884230-A1 | PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT OR AGENT FOR PREVENTING/AMELIORATING ROUGH SKIN AND EXTERNAL COMPOSITION FOR SKIN | Shiseido Company, Limited (JP) | 2008-02-06 | — | — | EP | disclosed |