Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 12/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.43 |
| ▸ | HTR2A | P28223 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | GFER | P55789 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ADK | P55263 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL13887292 | 0.91 | MCHR1 (0.51) | MCHR1TP53CHRM1HTR2ACYP2D6 | |
| SCHEMBL13887339 | 0.91 | MCHR1 (0.48) | MCHR1TP53CHRM1HTR2ACYP2D6 | |
| SCHEMBL13887294 | 0.90 | NPC1 (0.52) | MCHR1TP53CHRM1HTR2ACYP2D6 | |
| SCHEMBL13887296 | 0.87 | MCHR1 (0.43) | MCHR1TP53CHRM1HTR2ACYP2D6 | |
| SCHEMBL13887295 | 0.87 | TRPC3 (0.55) | MCHR1TP53CHRM1HTR2ACYP2D6 | |
| SCHEMBL13887298 | 0.85 | MCHR1 (0.43) | MCHR1TP53CHRM1HTR2ACYP2D6 | |
| SCHEMBL13887302 | 0.84 | MCHR1 (0.43) | MCHR1TP53CHRM1HTR2ACYP2D6 | |
| SCHEMBL13887353 | 0.83 | MCHR1 (0.42) | MCHR1TP53CHRM1HTR2ACYP2D6 | |
| Trifluoroacetic Acid SCHEMBL4497060 | 0.83 | MCHR1 (0.46) | MCHR1TP53CHRM1HTR2ACYP2D6 | |
| SCHEMBL13887301 | 0.83 | MCHR1 (0.57) | MCHR1TP53CHRM1HTR2ACYP2D6 |
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-7524862-B2 | Alkyne compounds with MCH antagonistic activity and medicaments comprising these compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-28 | — | — | US | disclosed |