Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.40 |
| ▸ | ACVR1 | Q04771 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 2/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.38 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.37 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.37 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.37 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.36 |
| ▸ | HTR3B | O95264 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7242650 | 0.84 | NPC1 (0.49) | PARP1KDM4EALDH1A1 | |
| SCHEMBL3453077 | 0.80 | ADRB1 (0.48) | PARP1ACVR1ADRB2HTR2CALDH1A1 | |
| SCHEMBL30945091 | 0.76 | EPHX2 (0.52) | KDM4EPLD1HTR2CALDH1A1PRKCA | |
| SCHEMBL4538970 | 0.76 | EPHX2 (0.52) | KDM4EPLD1HTR2CALDH1A1PRKCA | |
| Hydrochloric Acid SCHEMBL5901187 | 0.75 | EPHX2 (0.51) | KDM4EPLD1HTR2CALDH1A1PRKCA | |
| SCHEMBL6651476 | 0.74 | PIM1 (0.42) | PARP1ACVR1TGFBR1PRKD3PRKD1 | |
| SCHEMBL2351827 | 0.72 | CHRNB2 (0.41) | PARP1ACVR1CHRNB2CHRNA4HRH4 | |
| SCHEMBL30572289 | 0.72 | IKBKB (0.45) | ACVR1KDM4ETGFBR1HTR2CPRKD3 | |
| SCHEMBL16613201 | 0.72 | ADRB2 (0.52) | PARP1KDM4EADRB2HTR2CPRKD3 | |
| SCHEMBL20998571 | 0.70 | NPC1 (0.46) | KDM4EALDH1A1 |
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-2001077078-A1 | NOVEL PYRIDONES AND THEIR USE AS MODULATORS OF SERINE HYDROLASE ENZYMES | DALHOUSIE UNIVERSITY (CA) | 2001-10-18 | — | — | WO | disclosed |