Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.59 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.52 |
| ▸ | SYK | P43405 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | REN | P00797 | 1/20 | 0.48 |
| ▸ | CTSL | P07711 | 1/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.47 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.47 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.47 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.47 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.47 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7311171 | 1.00 | CYP3A4 (0.59) | CYP3A4KLK5SYKATMREN | |
| SCHEMBL7305834 | 1.00 | CYP3A4 (0.59) | CYP3A4KLK5SYKATMREN | |
| SCHEMBL9004989 | 0.97 | CYP3A4 (0.56) | CYP3A4KLK5SYKATMREN | |
| SCHEMBL9086032 | 0.95 | CYP3A4 (0.54) | CYP3A4KLK5SYKATMREN | |
| SCHEMBL9005101 | 0.93 | CYP3A4 (0.51) | CYP3A4KLK5SYKATMREN | |
| SCHEMBL7357618 | 0.92 | CYP3A4 (0.64) | CYP3A4CTSLCTSB | |
| SCHEMBL7303011 | 0.91 | CYP3A4 (0.63) | CYP3A4CTSLCTSB | |
| SCHEMBL7569915 | 0.91 | CYP3A4 (0.63) | CYP3A4CTSLCTSB | |
| SCHEMBL7305488 | 0.91 | CYP3A4 (0.63) | CYP3A4CTSLCTSB | |
| SCHEMBL9005118 | 0.91 | CYP3A4 (0.49) | CYP3A4KLK5 |
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-0486948-A2 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1992-05-27 | — | — | EP | disclosed |