Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.38 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | TLR4 | O00206 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8749450 | 0.77 | ALDH1A1 (0.47) | ALDH1A1KDM4EATMEPHX1BTK | |
| SCHEMBL8749397 | 0.77 | ALDH1A1 (0.47) | ALDH1A1KDM4EATMEPHX1BTK | |
| SCHEMBL283829 | 0.75 | ALDH1A1 (0.61) | ALDH1A1KDM4EATMEPHX1BTK | |
| SCHEMBL283971 | 0.75 | ALDH1A1 (0.61) | ALDH1A1KDM4EATMEPHX1BTK | |
| SCHEMBL283828 | 0.75 | ALDH1A1 (0.61) | ALDH1A1KDM4EATMEPHX1BTK | |
| SCHEMBL283972 | 0.75 | ALDH1A1 (0.61) | ALDH1A1KDM4EATMEPHX1BTK | |
| SCHEMBL8097490 | 0.72 | CHRM2 (0.41) | ALDH1A1EPHX1 | |
| SCHEMBL9019510 | 0.72 | ALDH1A1 (0.42) | ALDH1A1KDM4EATMEPHX1BTK | |
| SCHEMBL49036 | 0.71 | — | — | |
| SCHEMBL11435669 | 0.69 | ATM (0.44) | ALDH1A1KDM4EATMTLR4DPP4 |
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-2770987-B1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME (US) | 2018-04-04 | — | — | EP | disclosed |