Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | UGT1A1 | P22309 | 3/20 | 0.37 |
| ▸ | MLNR | O43193 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.37 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | CCKAR | P32238 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | GHSR | Q92847 | 1/20 | 0.37 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7331827 | 0.95 | CYP3A4 (0.41) | CYP3A4UGT1A1MLNRNR1I2SLCO2B1 | |
| SCHEMBL7334217 | 0.90 | UGT1A1 (0.41) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL7332205 | 0.86 | PGR (0.36) | CYP3A4ABCB1MAOBALDH1A1HTT | |
| SCHEMBL8331514 | 0.84 | UGT1A1 (0.41) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL7329645 | 0.81 | UGT1A1 (0.38) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL7336658 | 0.80 | PGR (0.41) | UGT1A1ABCB1KCNH2MAOBACACB | |
| SCHEMBL7333582 | 0.78 | UGT1A1 (0.36) | UGT1A1MLNRNR1I2SLCO2B1ABCB11 | |
| SCHEMBL7275895 | 0.78 | PGR (0.47) | ABCB1MAOBACACBPGRADORA3 | |
| SCHEMBL7268965 | 0.78 | CYP3A4 (0.46) | CYP3A4ABCB1ACACBSLC1A5GPR132 | |
| SCHEMBL6447678 | 0.77 | PGR (0.46) | ABCB1MAOBACACBPGRADORA3 |
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 |