Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HTR1F | P30939 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28026652 | 1.00 | CES2 (0.52) | CES2CES1ALDH1A1MEN1KMT2A | |
| SCHEMBL28026637 | 0.87 | L3MBTL1 (0.55) | CES2CES1ALDH1A1MEN1KMT2A | |
| SCHEMBL28026635 | 0.87 | L3MBTL1 (0.55) | CES2CES1ALDH1A1MEN1KMT2A | |
| SCHEMBL20524724 | 0.83 | CES2 (0.52) | CES2CES1ALDH1A1MEN1KMT2A | |
| SCHEMBL30323082 | 0.83 | CES2 (0.52) | CES2CES1ALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL31196625 | 0.82 | CES2 (0.50) | CES2CES1ALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL15567881 | 0.82 | CES2 (0.50) | CES2CES1ALDH1A1MEN1KMT2A | |
| SCHEMBL2542874 | 0.81 | ALDH1A1 (0.49) | CES2CES1ALDH1A1MEN1KMT2A | |
| SCHEMBL2542875 | 0.81 | ALDH1A1 (0.49) | CES2CES1ALDH1A1MEN1KMT2A | |
| SCHEMBL28026742 | 0.81 | CES2 (0.46) | CES2CES1ALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-102858778-B | Heterobiaryl-cyclohexyl-tetrazine is [e] Azulene also | HOFFMAN-LA ROCHE LTD. (CH) | 2015-08-26 | — | — | CN | disclosed |