Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.33 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4227747 | 0.79 | ESR1 (0.40) | ESR1ESR2OPRM1OPRD1OPRK1 | |
| SCHEMBL1366031 | 0.78 | ESR1 (0.48) | ALDH1A1MAPTSMN1; SMN2ESR1ESR2 | |
| SCHEMBL1367390 | 0.77 | ESR1 (0.64) | ALDH1A1MAPTSMN1; SMN2ESR1ESR2 | |
| SCHEMBL8241195 | 0.75 | HTR2C (0.44) | MAPTSMN1; SMN2RAB9ANPC1PDK2 | |
| SCHEMBL8248218 | 0.75 | PNMT (0.46) | — | |
| SCHEMBL1366408 | 0.74 | ESR1 (0.52) | ALDH1A1MAPTSMN1; SMN2ESR1ESR2 | |
| SCHEMBL4050990 | 0.73 | MCHR1 (0.55) | MCHR1 | |
| SCHEMBL4565375 | 0.73 | MCHR1 (0.54) | MCHR1 | |
| SCHEMBL2310619 | 0.71 | ALDH1A1 (0.37) | ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E | |
| SCHEMBL5737230 | 0.70 | CA1 (0.42) | ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E |
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-2009103478-A1 | PYRIDONE AND PYRIDAZINONE DERIVATIVES AS MCH ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-08-27 | — | — | WO | disclosed |