Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.36 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 2/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | FEN1 | P39748 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 3/20 | 0.33 |
| ▸ | GRM3 | Q14832 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27756927 | 0.85 | ALDH1A1 (0.50) | ALDH1A1MEN1MAPTKMT2ABACE1 | |
| SCHEMBL27844928 | 0.82 | MEN1 (0.53) | MEN1MAPTKMT2ABACE1CTSD | |
| SCHEMBL4402801 | 0.82 | CYP4F2 (0.39) | HDAC3HDAC1HDAC2CYP4F2CYP4A11 | |
| SCHEMBL31072370 | 0.80 | POLB (0.33) | — | |
| SCHEMBL31679477 | 0.79 | KMT2A (0.34) | ALDH1A1MEN1KMT2ABACE1CTSD | |
| SCHEMBL27520063 | 0.78 | ALOX5 (0.37) | ALDH1A1MEN1KMT2AGRM3 | |
| SCHEMBL27766894 | 0.78 | ALOX5 (0.37) | ALDH1A1MEN1KMT2AGRM3 | |
| SCHEMBL22991234 | 0.77 | GLS (0.43) | HDAC3HDAC1HDAC2CYP4F2CYP4A11 | |
| SCHEMBL9227258 | 0.77 | ALOX5 (0.39) | MEN1MAPTKMT2AGRM3 | |
| SCHEMBL27986606 | 0.76 | DPP8 (0.39) | MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102216297-B | (dihydro)pyrrolo[2,1-a]isoquinolines | MERCK LLC | 2014-06-25 | — | — | CN | disclosed |
| CN-102216297-A | (dihydro)pyrrolo[2,1-a]isoquinolines | ORGANON NV | 2011-10-12 | — | — | CN | disclosed |