Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.54 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.54 |
| ▸ | ACE | P12821 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.47 |
| ▸ | MDM4 | O15151 | 1/20 | 0.47 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL4081470 | 1.00 | ITGB3 (0.54) | ITGB3ITGA2BPTPN1ACEHDAC8 | |
| SCHEMBL8213080 | 0.91 | KLK5 (0.48) | HDAC8 | |
| SCHEMBL4086307 | 0.91 | KLK5 (0.48) | HDAC8 | |
| SCHEMBL8203641 | 0.90 | HDAC8 (0.46) | HDAC8 | |
| SCHEMBL4739863 | 0.89 | ACE (0.60) | ITGB3ITGA2BPTPN1ACEHDAC8 | |
| SCHEMBL3923929 | 0.84 | ACE (0.65) | ITGB3ITGA2BPTPN1ACEHDAC8 | |
| SCHEMBL3923937 | 0.84 | ACE (0.65) | ITGB3ITGA2BPTPN1ACEHDAC8 | |
| SCHEMBL3925152 | 0.84 | ACE (0.65) | ITGB3ITGA2BPTPN1ACEHDAC8 | |
| SCHEMBL2290444 | 0.84 | ACE (0.65) | ITGB3ITGA2BPTPN1ACEHDAC8 | |
| Hydrochloric Acid SCHEMBL4085745 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008029217-A2 | DIPEPTIDYL PEPTIDASE IV INHIBITORS | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2008-03-13 | — | — | WO | disclosed |
| WO-2008029217-A2 | DIPEPTIDYL PEPTIDASE IV INHIBITORS | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2008-03-13 | — | — | WO | disclosed |