Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TACR1 | P25103 | 9/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4234694 | 0.85 | ALDH1A1 (0.41) | ALDH1A1TACR1MAPTCES2CYP2D6 | |
| SCHEMBL3950662 | 0.85 | ALDH1A1 (0.41) | ALDH1A1TACR1MAPTCES2CYP2D6 | |
| SCHEMBL4234698 | 0.85 | ALDH1A1 (0.41) | ALDH1A1TACR1MAPTCES2CYP2D6 | |
| SCHEMBL15821803 | 0.85 | ALDH1A1 (0.41) | ALDH1A1TACR1MAPTCES2CYP2D6 | |
| SCHEMBL17200949 | 0.84 | CES2 (0.42) | ALDH1A1TACR1MAPTCES2CYP2D6 | |
| SCHEMBL3958410 | 0.84 | SCN9A (0.40) | ALDH1A1TACR1MAPTCES2CYP2D6 | |
| SCHEMBL3958415 | 0.84 | SCN9A (0.40) | ALDH1A1TACR1MAPTCES2CYP2D6 | |
| SCHEMBL3950088 | 0.78 | SCN9A (0.40) | ALDH1A1TACR1MAPTCES2CYP2D6 | |
| SCHEMBL22344612 | 0.77 | CXCR2 (0.38) | ALDH1A1TACR1PSEN1PSEN2APH1B | |
| SCHEMBL18989371 | 0.77 | CXCR2 (0.38) | ALDH1A1TACR1PSEN1PSEN2APH1B |
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-1983966-B1 | POLYMER FORMULATIONS OF CETP INHIBITORS | MERCK SHARP & DOHME (US) | 2013-06-26 | — | — | EP | disclosed |