Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 7/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | EBP | Q15125 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3165134 | 0.91 | ALDH1A1 (0.48) | ALDH1A1MAPK1SMN1; SMN2KDM4EPOLB | |
| SCHEMBL3165247 | 0.87 | OPRM1 (0.49) | OPRL1OPRM1ALDH1A1OPRD1TP53 | |
| SCHEMBL3161106 | 0.85 | ACHE (0.48) | ALDH1A1PKMSIGMAR1MAPTKDM4E | |
| SCHEMBL3163863 | 0.85 | POLB (0.45) | OPRL1OPRM1ALDH1A1OPRD1ABCB11 | |
| SCHEMBL3169426 | 0.85 | POLB (0.45) | ALDH1A1TSHRMAPK1SMN1; SMN2KDM4E | |
| SCHEMBL3170797 | 0.83 | ACHE (0.46) | ALDH1A1PKMSIGMAR1MAPTKDM4E | |
| SCHEMBL3170318 | 0.83 | LMNA (0.42) | ALDH1A1OPRD1CYP3A4MAPK1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3169892 | 0.83 | ACHE (0.46) | ALDH1A1PKMSIGMAR1MAPTKDM4E | |
| SCHEMBL3161434 | 0.81 | ADORA1 (0.42) | ALDH1A1MAPK1SMN1; SMN2NPC1KDM4E | |
| SCHEMBL3162386 | 0.81 | OPRD1 (0.46) | OPRL1OPRM1CHRM4OPRD1CYP3A4 |
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-1465631-B1 | PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | OSI PHARM INC (US) | 2010-02-24 | — | — | EP | disclosed |