Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 6/20 | 0.59 |
| ▸ | MCHR1 | Q99705 | 12/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.51 |
| ▸ | HRH1 | P35367 | 3/20 | 0.51 |
| ▸ | HTR2B | P41595 | 2/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6875541 | 1.00 | SMYD3 (0.59) | SMYD3MCHR1ADRA2AHRH1HTR2B | |
| Trifluoroacetic Acid SCHEMBL6457147 | 0.95 | SMYD3 (0.53) | SMYD3MCHR1ADRA2AHRH1HTR2B | |
| SCHEMBL4264148 | 0.79 | SMYD3 (0.58) | SMYD3MCHR1ADRA2AHRH1HTR2B | |
| Trifluoroacetic Acid SCHEMBL6455779 | 0.77 | SMYD3 (0.52) | SMYD3MCHR1ADRA2AHRH1HTR2B | |
| SCHEMBL6876583 | 0.77 | MCHR1 (0.60) | MCHR1ADRA2AHRH1HTR2BADRA1A | |
| SCHEMBL6876592 | 0.77 | MCHR1 (0.60) | MCHR1ADRA2AHRH1HTR2BADRA1A | |
| SCHEMBL6462797 | 0.77 | MCHR1 (0.71) | SMYD3MCHR1ADRA2AHRH1HTR2B | |
| SCHEMBL6462823 | 0.77 | MCHR1 (0.71) | SMYD3MCHR1ADRA2AHRH1HTR2B | |
| SCHEMBL6867350 | 0.77 | MCHR1 (0.55) | SMYD3MCHR1ADRA2AHRH1HTR2B | |
| SCHEMBL6879845 | 0.77 | MCHR1 (0.72) | SMYD3MCHR1ADRA2AHRH1HTR2B |
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 |