Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 2/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.41 |
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 5/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5043115 | 0.83 | ROCK1 (0.52) | ROCK1CTNNB1WNT3ATRPA1RAB9A | |
| SCHEMBL378733 | 0.78 | AR (0.46) | ROCK1TRPA1EPAS1KCNH2 | |
| SCHEMBL5407364 | 0.75 | MEN1 (0.46) | ROCK1CTNNB1WNT3ATRPA1MAOB | |
| SCHEMBL2876364 | 0.75 | ROCK1 (0.58) | ROCK1TRPA1MAOBRAB9AMEN1 | |
| SCHEMBL28707122 | 0.74 | NOS1 (0.46) | ROCK1CTNNB1WNT3ATRPA1MAOB | |
| SCHEMBL5413417 | 0.73 | GAA (0.59) | ROCK1TRPA1RAB9AMEN1KMT2A | |
| SCHEMBL12328667 | 0.73 | MAP4K4 (0.40) | HTR2ASLC6A4KCNH2 | |
| SCHEMBL3497213 | 0.72 | TRPA1 (0.59) | ROCK1CTNNB1WNT3ATRPA1MAOB | |
| SCHEMBL5417525 | 0.72 | SLC6A4 (0.55) | TRPA1MEN1KMT2AHTR2ASLC6A4 | |
| Hydrochloric Acid SCHEMBL2450168 | 0.72 | MAP4K4 (0.40) | HTR2ASLC6A4KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014134313-A1 | INTERMEDIATES FOR USE IN THE PREPARATION OF INDAZOLE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF | ARRAY BIOPHARMA INC. (US) | 2014-09-04 | — | — | WO | disclosed |