Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 3/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.37 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1782688 | 0.91 | ALOX5 (0.38) | ALOX5CTSKCTSSCNR2CHRM2 | |
| SCHEMBL6531991 | 0.85 | EPHX1 (0.36) | ALOX5EPHX1CTSKCTSSGAA | |
| SCHEMBL7332327 | 0.84 | CTSD (0.36) | CTSSGAACTSDCNR2 | |
| SCHEMBL10324374 | 0.83 | EPHX1 (0.34) | ALOX5EPHX1CTSKCTSSGAA | |
| SCHEMBL9306400 | 0.83 | ALOX5 (0.55) | ALOX5EPHX1CTSKCTSSGAA | |
| SCHEMBL3301278 | 0.82 | CPN1 (0.37) | EPHX1SLC6A4BACE1 | |
| SCHEMBL8911411 | 0.81 | HTR2C (0.42) | ALOX5EPHX1CTSKCTSSGAA | |
| SCHEMBL21574018 | 0.81 | HTR2C (0.42) | ALOX5EPHX1CTSKCTSSGAA | |
| SCHEMBL4971636 | 0.81 | EPHX1 (0.35) | ALOX5EPHX1CTSKCTSSGAA | |
| SCHEMBL7186502 | 0.81 | ALOX5 (0.41) | ALOX5EPHX1CTSKCTSSGAA |
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 5 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 |
| WO-1994019332-A1 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1994-09-01 | — | — | WO | disclosed |