Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 7/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 3/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.40 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6875687 | 1.00 | SIGMAR1 (0.44) | SIGMAR1ALDH1A1KDM4ECYP1A2CYP2D6 | |
| SCHEMBL6873794 | 0.91 | SIGMAR1 (0.54) | SIGMAR1KDM4EMEN1KMT2AMAPT | |
| SCHEMBL6873798 | 0.91 | SIGMAR1 (0.54) | SIGMAR1KDM4EMEN1KMT2AMAPT | |
| SCHEMBL6873885 | 0.89 | MCHR1 (0.46) | ALDH1A1CYP1A2CYP2D6MEN1KMT2A | |
| SCHEMBL6873877 | 0.89 | MCHR1 (0.46) | ALDH1A1CYP1A2CYP2D6MEN1KMT2A | |
| SCHEMBL6876960 | 0.89 | NPC1 (0.44) | SIGMAR1ALDH1A1MAPTTP53MCHR1 | |
| SCHEMBL6876952 | 0.89 | NPC1 (0.44) | SIGMAR1ALDH1A1MAPTTP53MCHR1 | |
| SCHEMBL6866974 | 0.87 | SIGMAR1 (0.44) | SIGMAR1ALDH1A1CYP1A2CYP2D6MEN1 | |
| SCHEMBL6866972 | 0.87 | SIGMAR1 (0.44) | SIGMAR1ALDH1A1CYP1A2CYP2D6MEN1 | |
| SCHEMBL13793296 | 0.86 | MCHR1 (0.57) | MCHR1ADRA2ANPY5R |
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 |
|---|---|---|---|---|---|---|---|
| EP-1464335-A2 | Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist | Taisho Pharmaceutical Co. Ltd. (JP) | 2004-10-06 | — | — | EP | disclosed |