Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.60 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.60 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.49 |
| ▸ | WNT3A | P56704 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | ANPEP | P15144 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8514379 | 0.87 | TAS1R3 (0.68) | TAS1R3TAS1R1MAOAMAOBCTNNB1 | |
| SCHEMBL14613738 | 0.80 | MAOB (0.47) | TAS1R3TAS1R1MAOAMAOBNPC1 | |
| SCHEMBL4438920 | 0.79 | MAOA (0.57) | TAS1R3TAS1R1MAOAMAOBCTNNB1 | |
| SCHEMBL7463164 | 0.78 | TAS1R3 (0.67) | TAS1R3TAS1R1MAOAMAOBCTNNB1 | |
| Isopropyl Alcohol SCHEMBL28872249 | 0.77 | KDM4E (0.62) | TAS1R3TAS1R1PTGS2MAOAMAOB | |
| SCHEMBL9480345 | 0.77 | TAS1R3 (0.60) | TAS1R3TAS1R1MAOAMAOBCTNNB1 | |
| SCHEMBL1991906 | 0.77 | HDAC6 (0.67) | TAS1R3TAS1R1MAOAMAOBCTNNB1 | |
| SCHEMBL7463161 | 0.77 | TAS1R3 (0.66) | TAS1R3TAS1R1MAOAMAOBCTNNB1 | |
| SCHEMBL14121638 | 0.77 | PPARG (0.56) | TAS1R3TAS1R1MAOAMAOBCTNNB1 | |
| SCHEMBL6706650 | 0.77 | NPC1 (0.54) | PTGS2MAOAMAOBNPC1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1397360-A1 | AZAINDOLES | Aventis Pharma Limited (GB) | 2004-03-17 | — | — | EP | disclosed |
| WO-2003000688-A1 | AZAINDOLES | AVENTIS PHARMA LIMITED (GB) | 2003-01-03 | — | — | WO | disclosed |