Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.45 |
| ▸ | CTSL | P07711 | 4/20 | 0.44 |
| ▸ | CTSB | P07858 | 4/20 | 0.44 |
| ▸ | BACE1 | P56817 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7331893 | 0.91 | BACE1 (0.44) | CYP3A4CTSLCTSBBACE1SMN1; SMN2 | |
| SCHEMBL8334059 | 0.88 | BACE1 (0.41) | CTSLBACE1SMN1; SMN2MAPTSYK | |
| SCHEMBL8333233 | 0.86 | BACE1 (0.44) | BACE1SLC1A5SMN1; SMN2SYK | |
| SCHEMBL8331696 | 0.86 | KCNA5 (0.40) | CYP3A4CTSLCTSBBACE1SLC1A5 | |
| SCHEMBL7366418 | 0.86 | BACE1 (0.44) | BACE1SLC1A5SMN1; SMN2SYK | |
| SCHEMBL7332234 | 0.85 | CYP3A4 (0.42) | CYP3A4 | |
| SCHEMBL7329241 | 0.85 | CYP3A4 (0.42) | CYP3A4CTSLCTSBBACE1SMN1; SMN2 | |
| SCHEMBL8333205 | 0.85 | SMN1; SMN2 (0.44) | CTSLBACE1SMN1; SMN2MAPTSYK | |
| SCHEMBL7328253 | 0.85 | BACE1 (0.47) | CTSLBACE1SLC1A5SMN1; SMN2MAPT | |
| SCHEMBL7327200 | 0.85 | BACE1 (0.41) | CTSLBACE1SLC1A5ALDH1A1SMN1; SMN2 |
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-5631376-A | PEPTIDE DERIVATIVES FOR TREATMENT OF AIDS | ABBOTT LABORATORIES (US) | 1997-05-20 | — | — | 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 |