Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 4/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.34 |
| ▸ | MME | P08473 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 1/20 | 0.34 |
| ▸ | CPA1 | P15085 | 1/20 | 0.34 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.34 |
| ▸ | CHRNG | P07510 | 1/20 | 0.34 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL9227299 | 0.82 | TRPA1 (0.47) | CPA1 | |
| SCHEMBL6003677 | 0.80 | TBXAS1 (0.44) | DPP4MAOAMAOBRIPK1PIN1 | |
| SCHEMBL6005325 | 0.80 | TBXAS1 (0.44) | DPP4MAOAMAOBRIPK1PIN1 | |
| SCHEMBL6003686 | 0.80 | TBXAS1 (0.44) | DPP4MAOAMAOBRIPK1PIN1 | |
| SCHEMBL31067929 | 0.80 | TBXAS1 (0.44) | DPP4MAOAMAOBRIPK1PIN1 | |
| SCHEMBL7360275 | 0.80 | SLC1A1 (0.48) | MAOAMAOB | |
| SCHEMBL6400128 | 0.79 | DPP4 (0.44) | DPP4MAOAMAOBRIPK1DPP7 | |
| SCHEMBL27952958 | 0.78 | MAOA (0.39) | DPP4MAOAMAOBRIPK1DPP7 | |
| SCHEMBL23030411 | 0.76 | MAOA (0.42) | DPP4MAOAMAOBPIN1MME | |
| SCHEMBL21400126 | 0.76 | DPP4 (0.39) | DPP4MAOAMAOBRIPK1DPP7 |
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-1112269-A2 | HIV PROTEASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000015634-A2 | HIV PROTEASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2000-03-23 | — | — | WO | disclosed |