Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.30 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.30 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22036061 | 0.88 | ALDH1A1 (0.37) | ALDH1A1HPGDKDM4EMAPTNPSR1 | |
| SCHEMBL22036062 | 0.86 | ALDH1A1 (0.36) | ALDH1A1HPGDKDM4EMAPTNPSR1 | |
| SCHEMBL17408328 | 0.85 | ALDH1A1 (0.42) | ALDH1A1HPGDKDM4EMAPTNPSR1 | |
| SCHEMBL22036059 | 0.85 | NPC1 (0.33) | ALDH1A1HPGDKDM4EMAPTNPSR1 | |
| SCHEMBL17451733 | 0.85 | ALDH1A1 (0.35) | ALDH1A1HPGDKDM4EMAPTNPSR1 | |
| SCHEMBL23474678 | 0.85 | KDM4E (0.32) | ALDH1A1HPGDKDM4EMAPTNPSR1 | |
| SCHEMBL22036060 | 0.85 | ALDH1A1 (0.45) | ALDH1A1HPGDKDM4EMAPTNPSR1 | |
| SCHEMBL22035840 | 0.85 | ALDH1A1 (0.45) | ALDH1A1HPGDKDM4EMAPTNPSR1 | |
| SCHEMBL22035836 | 0.84 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4EMAPTNPSR1 | |
| SCHEMBL17451727 | 0.83 | ALDH1A1 (0.34) | ALDH1A1HPGDKDM4EMAPTNPSR1 |
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-3630764-B1 | HEXACYCLIC HETEROAROMATIC COMPOUNDS FOR USE IN ELEKTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2021-08-18 | — | — | EP | disclosed |