Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 5/20 | 0.60 |
| ▸ | KHK | P50053 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 6/20 | 0.42 |
| ▸ | HTR1A | P08908 | 6/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 3/20 | 0.42 |
| ▸ | HTR3B | O95264 | 3/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 3/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 3/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | HTR5A | P47898 | 1/20 | 0.42 |
| ▸ | HTR7 | P34969 | 5/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11555106 | 0.86 | HTR3E (0.53) | ADRB1HTR3AHTR1AHTR3EHTR3B | |
| SCHEMBL2348220 | 0.85 | ADRB1 (0.62) | ADRB1HTR3AHTR1AHTR3EHTR3B | |
| SCHEMBL2345155 | 0.84 | HTR1A (0.44) | ADRB1HTR3AHTR1AHTR3EHTR3B | |
| SCHEMBL2343964 | 0.79 | HTR7 (0.49) | ADRB1HTR3AHTR1AHTR3EHTR3B | |
| SCHEMBL2345082 | 0.78 | HTR3E (0.48) | ADRB1HTR3AHTR1AHTR3EHTR3B | |
| SCHEMBL2346369 | 0.78 | ADRB1 (0.53) | ADRB1HTR3AHTR1AHTR3EHTR3B | |
| SCHEMBL2342043 | 0.78 | HTR3A (0.56) | ADRB1HTR3AHTR1AHTR3EHTR3B | |
| SCHEMBL2348309 | 0.78 | HTR3A (0.44) | ADRB1HTR3AHTR1AHTR3EHTR3B | |
| SCHEMBL81365 | 0.76 | ADRB1 (1.00) | ADRB1KHKHTR3AHTR1AHTR3E | |
| SCHEMBL29391951 | 0.76 | ADRB1 (1.00) | ADRB1KHKHTR3AHTR1AHTR3E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8008491-B2 | poly(adenosine 5'-diphosphate ribose) polymerase inhibitors such as 1-phenyl-2-(piperazin-1-yl)-1,3-dihydropyrrolo[2,3-b]pyridine-3-carboxaldehyde, used in the treatment and/or prevention central nervous system and cardiovascular disorders | AVENTIS PHARMACEUTICALS, INC. (US) | 2011-08-30 | — | — | US | disclosed |