Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PAM | P19021 | 1/20 | 0.36 |
| ▸ | ITK | Q08881 | 1/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | KDM5A | P29375 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.35 |
| ▸ | TUBB | P07437 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8803198 | 0.81 | MEN1 (0.43) | CYP3A4SMN1; SMN2PKMTUBB4ATUBB | |
| SCHEMBL8802023 | 0.80 | PPARG (0.49) | F2ALDH1A1ITKKDM4AKDM5A | |
| SCHEMBL8801363 | 0.79 | CHRM1 (0.37) | CYP3A4F2NPSR1ALDH1A1MAPK1 | |
| SCHEMBL203679 | 0.75 | ALDH1A1 (0.61) | CYP3A4NPSR1SMN1; SMN2PKMMGLL | |
| SCHEMBL8387112 | 0.74 | NLRP3 (0.45) | ENPP2CYP3A4ALDH1A1HSD17B10KDM4E | |
| Hydrochloric Acid SCHEMBL25259767 | 0.74 | ALDH1A1 (0.59) | CYP3A4NPSR1SMN1; SMN2PKMMGLL | |
| SCHEMBL9057255 | 0.73 | MTNR1A (0.41) | CYP3A4NPSR1SMN1; SMN2PKMMGLL | |
| SCHEMBL27609022 | 0.72 | CYP3A4 (0.49) | ENPP2CYP3A4NPSR1SMN1; SMN2PKM | |
| Phenylacetic Acid SCHEMBL11667819 | 0.72 | PAM (0.59) | CYP3A4NPSR1SMN1; SMN2PKMMGLL | |
| SCHEMBL1581302 | 0.71 | MTNR1A (0.48) | CYP3A4NPSR1SMN1; SMN2PKMMAPK1 |
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-0804416-A1 | HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS | SANKYO COMPANY LIMITED (JP) | 1997-11-05 | — | — | EP | disclosed |