Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | BACE1 | P56817 | 6/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 2/20 | 0.34 |
| ▸ | CTSB | P07858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8469355 | 0.85 | CYP3A4 (0.45) | CYP3A4BACE1SMN1; SMN2MAPTSYK | |
| SCHEMBL8334059 | 0.85 | BACE1 (0.41) | BACE1SMN1; SMN2MAPTSYKAKT1 | |
| SCHEMBL7331893 | 0.85 | BACE1 (0.44) | CYP3A4BACE1SMN1; SMN2MAPTSYK | |
| SCHEMBL7332234 | 0.85 | CYP3A4 (0.42) | CYP3A4 | |
| SCHEMBL8333205 | 0.83 | SMN1; SMN2 (0.44) | BACE1SMN1; SMN2MAPTSYKAKT1 | |
| SCHEMBL7327200 | 0.83 | BACE1 (0.41) | BACE1SMN1; SMN2MAPTSYKAKT1 | |
| SCHEMBL8333233 | 0.83 | BACE1 (0.44) | BACE1SMN1; SMN2SYKAKT1LMNA | |
| SCHEMBL8331696 | 0.82 | KCNA5 (0.40) | CYP3A4BACE1SMN1; SMN2MAPTSYK | |
| SCHEMBL8331022 | 0.82 | BACE1 (0.43) | BACE1SMN1; SMN2MAPTSYKAKT1 | |
| SCHEMBL7366418 | 0.82 | BACE1 (0.44) | BACE1SMN1; SMN2SYKAKT1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5990135-A | FOR TREATING A RETROVIRAL INFECTION SUCH AS HIV INFECTION; FOR EXAMPLE 5S-N-((2-PYRIDINYL)METHOXYCARBONYL)VALINYLAMINO-2-((N-3 -PYRIDINYL)METHOXYCARBONYL)AMINO-4S-HYDROXY-1,6-DIPHENYL-2-AZAHEXANE AND OTHER COMPOUNDS OF GIVEN FORMULA | ABBOTT LABORATORIES (US) | 1999-11-23 | — | — | US | disclosed |
| US-5621109-A | OXAZOLE/THIAZOLE DERIVATIVES OF HYDROXYMETHYL HYDRAZONES; SIDE EFFECT REDUCTION | ABBOTT LABORATORIES (US) | 1997-04-15 | — | — | US | disclosed |
| US-5461067-A | For HIV infections | ABBOTT LABORATORIES (US) | 1995-10-24 | — | — | US | disclosed |
| WO-1994019332-A1 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1994-09-01 | — | — | WO | disclosed |