Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | TNKS | O95271 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13945338 | 0.80 | DPP4 (0.44) | DPP4CYP3A4TNKSPARP1TNKS2 | |
| SCHEMBL8091569 | 0.76 | CYP3A4 (0.49) | DPP4CYP3A4ATMALDH1A1GRIN1 | |
| SCHEMBL8092993 | 0.74 | HTR2B (0.44) | ATMACHEHTR1AGRIN1GRIN2B | |
| SCHEMBL13969375 | 0.73 | HTR1D (0.42) | DPP4CYP3A4ACHECHRM1HTR1A | |
| SCHEMBL19568156 | 0.71 | ACHE (0.62) | ALDH1A1ACHESMN1; SMN2CHRM1KDM4E | |
| SCHEMBL8094653 | 0.70 | PDE2A (0.47) | ATMALDH1A1ACHEMAPTCHRM1 | |
| SCHEMBL20804350 | 0.69 | COMT (0.53) | ALDH1A1TNKSPARP1TNKS2SMN1; SMN2 | |
| SCHEMBL28024574 | 0.69 | COMT (0.53) | ALDH1A1TNKSPARP1TNKS2SMN1; SMN2 | |
| SCHEMBL27816223 | 0.69 | CHRM1 (0.50) | DPP4CYP3A4CHRM1 | |
| SCHEMBL4241634 | 0.69 | MAPT (0.54) | ACHESMN1; SMN2MAPTCHRM1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009000085-A1 | QUINOLINE AND QUINAZOLINE DERIVATIVES USEFUL AS MODULATORS OF GATED ION CHANNELS | PAINCEPTOR PHARMA CORPORATION (CA) | 2008-12-31 | — | — | WO | disclosed |