Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | FNTA | P49354 | 1/20 | 0.47 |
| ▸ | FNTB | P49356 | 1/20 | 0.47 |
| ▸ | CTRB1 | P17538 | 4/20 | 0.47 |
| ▸ | CTSD | P07339 | 1/20 | 0.46 |
| ▸ | CTSE | P14091 | 1/20 | 0.46 |
| ▸ | PGC | P20142 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL19022492 | 0.89 | MAPK1 (0.69) | CYP3A4MAPK1FNTAFNTB | |
| SCHEMBL7270319 | 0.85 | CTSS (0.52) | CTRB1CTSDCTSEPGC | |
| SCHEMBL6529461 | 0.84 | MAPK1 (0.69) | CYP3A4MAPK1CTRB1LMNA | |
| SCHEMBL2089507 | 0.84 | MAPK1 (0.69) | CYP3A4MAPK1CTRB1LMNA | |
| SCHEMBL6319150 | 0.84 | MAPK1 (0.69) | CYP3A4MAPK1CTRB1LMNA | |
| SCHEMBL7323342 | 0.82 | CYP3A4 (0.60) | CYP3A4MAPK1CTRB1CTSD | |
| SCHEMBL3134757 | 0.82 | CYP3A4 (0.67) | CYP3A4MAPK1CTRB1 | |
| SCHEMBL3134775 | 0.82 | CYP3A4 (0.67) | CYP3A4MAPK1CTRB1 | |
| SCHEMBL17037426 | 0.81 | CYP3A4 (0.75) | CYP3A4MAPK1 | |
| SCHEMBL8542012 | 0.81 | CYP3A4 (0.59) | CYP3A4MAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0415981-A4 | RETROVIRAL PROTEASE INHIBITORS | — | 1991-10-09 | — | — | EP | disclosed |
| EP-0415981-A1 | RETROVIRAL PROTEASE INHIBITORS | ABBOTT LABORATORIES (US) | 1991-03-13 | — | — | EP | disclosed |
| EP-0342541-A2 | Retroviral protease inhibitors | ABBOTT LABORATORIES (US) | 1989-11-23 | — | — | EP | disclosed |
| WO-1989010752-A1 | RETROVIRAL PROTEASE INHIBITORS | ABBOTT LABORATORIES (US) | 1989-11-16 | — | — | WO | disclosed |