Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | CTSS | P25774 | 4/20 | 0.49 |
| ▸ | CTSK | P43235 | 2/20 | 0.49 |
| ▸ | CTSL | P07711 | 2/20 | 0.49 |
| ▸ | CTSB | P07858 | 2/20 | 0.49 |
| ▸ | PSEN1 | P49768 | 4/20 | 0.48 |
| ▸ | PSEN2 | P49810 | 4/20 | 0.48 |
| ▸ | APH1B | Q8WW43 | 4/20 | 0.48 |
| ▸ | NCSTN | Q92542 | 4/20 | 0.48 |
| ▸ | APH1A | Q96BI3 | 4/20 | 0.48 |
| ▸ | PSENEN | Q9NZ42 | 4/20 | 0.48 |
| ▸ | APP | P05067 | 4/20 | 0.48 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.48 |
| ▸ | ACE | P12821 | 1/20 | 0.45 |
| ▸ | AKT1 | P31749 | 2/20 | 0.45 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2059402 | 1.00 | ATM (0.57) | ATMCTSSCTSKCTSLCTSB | |
| SCHEMBL8947270 | 1.00 | ATM (0.57) | ATMCTSSCTSKCTSLCTSB | |
| SCHEMBL893529 | 0.88 | UGT1A1 (0.49) | ATMCTSSCTSKCTSLCTSB | |
| SCHEMBL2438229 | 0.86 | ATM (0.51) | ATMCTSSCTSKCTSLCTSB | |
| SCHEMBL8769837 | 0.83 | CTRB1 (0.48) | CTSSCTSK | |
| SCHEMBL7270247 | 0.82 | ATM (0.62) | ATMCTSSCTSKCTSLCTSB | |
| SCHEMBL7301095 | 0.82 | ATM (0.62) | ATMCTSSCTSKCTSLCTSB | |
| SCHEMBL16281958 | 0.82 | ATM (0.62) | ATMCTSSCTSKCTSLCTSB | |
| SCHEMBL7299571 | 0.82 | ATM (0.62) | ATMCTSSCTSKCTSLCTSB | |
| SCHEMBL7305946 | 0.82 | ATM (0.62) | ATMCTSSCTSKCTSLCTSB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5914332-A | NOVEL COMPOUNDS FOR USE AS HIV PROTEASE INHIBITORS IN TREATING HIV AND AIDS | ABBOTT LABORATORIES (US) | 1999-06-22 | — | — | US | disclosed |
| US-5786500-A | Process for the preparation of a substituted 2.5-diamino-3-hydroxyhexane | ABBOTT LABORATORIES (US) | 1998-07-28 | — | — | US | disclosed |
| US-5484801-A | Pharmaceutical composition for inhibiting HIV protease | ABBOTT LABORATORIES (US) | 1996-01-16 | — | — | US | disclosed |