Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RY6 | Q15077 | 5/20 | 0.56 |
| ▸ | P2RY14 | Q15391 | 2/20 | 0.56 |
| ▸ | NT5E | P21589 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | MTOR | P42345 | 2/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.55 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.55 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | ABL1 | P00519 | 1/20 | 0.49 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CDA | P32320 | 1/20 | 0.47 |
| ▸ | P2RY2 | P41231 | 4/20 | 0.47 |
| ▸ | P2RY4 | P51582 | 4/20 | 0.47 |
| ▸ | GMNN | O75496 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9128244 | 1.00 | P2RY6 (0.56) | P2RY6P2RY14NT5ELMNAMTOR | |
| SCHEMBL565904 | 0.88 | P2RY6 (0.70) | P2RY6P2RY14NT5ELMNAMTOR | |
| SCHEMBL27878674 | 0.88 | P2RY6 (0.70) | P2RY6P2RY14NT5ELMNAMTOR | |
| SCHEMBL7267465 | 0.88 | P2RY6 (0.70) | P2RY6P2RY14NT5ELMNAMTOR | |
| SCHEMBL16805383 | 0.88 | P2RY6 (0.70) | P2RY6P2RY14NT5ELMNAMTOR | |
| SCHEMBL18852530 | 0.88 | P2RY6 (0.70) | P2RY6P2RY14NT5ELMNAMTOR | |
| SCHEMBL565905 | 0.88 | P2RY6 (0.70) | P2RY6P2RY14NT5ELMNAMTOR | |
| SCHEMBL14853856 | 0.88 | P2RY6 (0.70) | P2RY6P2RY14NT5ELMNAMTOR | |
| SCHEMBL18152610 | 0.87 | P2RY6 (0.57) | P2RY6P2RY14NT5ELMNAMTOR | |
| SCHEMBL7527325 | 0.87 | P2RY6 (0.69) | P2RY6P2RY14NT5ELMNAMTOR |
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-5436331-A | Etherification with N-aryl-4-alkoxy-1,2,5,6-tetrahydropyidine | KINGS COLLEGE LONDON (GB) | 1995-07-25 | — | — | US | disclosed |