Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 5/20 | 0.55 |
| ▸ | METAP2 | P50579 | 2/20 | 0.55 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.50 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TRPA1 | O75762 | 6/20 | 0.48 |
| ▸ | GSK3B | P49841 | 3/20 | 0.46 |
| ▸ | CLK1 | P49759 | 2/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.46 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL15673661 | 0.86 | NOS1 (0.56) | NOS1METAP2CSNK2A1ROCK2ROCK1 | |
| SCHEMBL6181437 | 0.86 | NOS1 (0.55) | NOS1METAP2CSNK2A1MAPTKDM4E | |
| SCHEMBL84462 | 0.85 | TRPA1 (0.54) | NOS1METAP2CSNK2A1ROCK2ROCK1 | |
| SCHEMBL1754871 | 0.82 | ROCK2 (0.55) | NOS1METAP2CSNK2A1ROCK2ROCK1 | |
| SCHEMBL263567 | 0.82 | ROCK2 (0.55) | NOS1METAP2CSNK2A1ROCK2ROCK1 | |
| SCHEMBL20841219 | 0.82 | NOS1 (0.55) | NOS1METAP2CSNK2A1ROCK2ROCK1 | |
| SCHEMBL30074251 | 0.82 | ROCK2 (0.50) | NOS1METAP2CSNK2A1ROCK2ROCK1 | |
| SCHEMBL22079235 | 0.82 | ROCK2 (0.55) | NOS1METAP2CSNK2A1ROCK2ROCK1 | |
| SCHEMBL29520764 | 0.81 | TRPA1 (0.54) | NOS1METAP2CSNK2A1ROCK2ROCK1 | |
| Hydrochloric Acid SCHEMBL29915566 | 0.81 | ROCK2 (0.53) | NOS1METAP2CSNK2A1ROCK2ROCK1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105358559-A | Pyrrolopyridine or pyrazolopyridine derivative | HOFFMANN LA ROCHE | 2016-02-24 | — | — | CN | disclosed |
| CN-104884451-A | Pyridinone and pyridazinone derivatives | ABBVIE INC | 2015-09-02 | — | — | CN | disclosed |
| CN-104718201-A | Pyridinone and pyridazinone derivatives | ABBVIE INC | 2015-06-17 | — | — | CN | disclosed |
| CN-104379573-A | Isoindolone derivatives | ABBVIE INC | 2015-02-25 | — | — | CN | disclosed |
| CN-104334526-A | Isoindolone derivatives | ABBVIE INC | 2015-02-04 | — | — | CN | disclosed |