Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.64 |
| ▸ | HTR1D | P28221 | 2/20 | 0.64 |
| ▸ | HTR1B | P28222 | 2/20 | 0.64 |
| ▸ | KDM1A | O60341 | 1/20 | 0.58 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.58 |
| ▸ | CASP3 | P42574 | 1/20 | 0.57 |
| ▸ | CASP7 | P55210 | 1/20 | 0.57 |
| ▸ | SETD2 | Q9BYW2 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | USP2 | O75604 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL30577378 | 0.88 | HTR1D (0.60) | HTR2AHTR1DHTR1BKDM1ARCOR1 | |
| SCHEMBL22410915 | 0.87 | HTR2A (0.59) | HTR2AHTR1DHTR1BKDM1ARCOR1 | |
| SCHEMBL25319314 | 0.86 | MAPT (0.68) | HTR2AHTR1DHTR1BMEN1USP2 | |
| SCHEMBL22169759 | 0.84 | BRD4 (0.58) | HTR2AHTR1DHTR1BKDM1ARCOR1 | |
| SCHEMBL19281787 | 0.84 | FAAH (0.52) | HTR2AHTR1DHTR1BMEN1USP2 | |
| SCHEMBL16583818 | 0.82 | KMO (0.61) | CASP3CASP7SETD2MEN1USP2 | |
| SCHEMBL29521619 | 0.82 | HTR2A (0.52) | HTR2AHTR1DHTR1BKDM1ARCOR1 | |
| SCHEMBL20557362 | 0.81 | CNR1 (0.79) | HTR2AHTR1DHTR1BMEN1USP2 | |
| SCHEMBL30469240 | 0.81 | CNR1 (0.79) | HTR2AHTR1DHTR1BMEN1USP2 | |
| SCHEMBL28106923 | 0.81 | RAB9A (0.70) | MEN1MAPTKMT2APOLBNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104684554-A | Derivatives of azaindazole or diazaindazole type for treating pain | PF MEDICAMENT | 2015-06-03 | — | — | CN | disclosed |
| CN-104470925-A | Imidazotriazinecarbonitriles useful as kinase inhibitors | BRISTOL MYERS SQUIBB CO | 2015-03-25 | — | — | CN | disclosed |