Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.53 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.51 |
| ▸ | ACACB | O00763 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL17790218 | 0.85 | ROCK2 (0.55) | MEN1KMT2AROCK2ROCK1HDAC6 | |
| SCHEMBL17788671 | 0.83 | ROCK2 (0.59) | ROCK2ROCK1KDM1A | |
| SCHEMBL19954258 | 0.83 | ROCK2 (0.68) | MEN1KMT2AROCK2ACACBPOLB | |
| SCHEMBL19954190 | 0.82 | MEP1B (0.51) | KMT2AROCK2ROCK1ACACB | |
| SCHEMBL19954230 | 0.82 | SMYD3 (0.61) | MEN1KMT2AROCK2ROCK1 | |
| SCHEMBL19954197 | 0.81 | ROCK2 (0.59) | KMT2AROCK2ROCK1 | |
| SCHEMBL18901182 | 0.80 | MEN1 (0.57) | MEN1KMT2AROCK2ROCK1HDAC6 | |
| SCHEMBL23553939 | 0.79 | ROCK2 (0.60) | ROCK2ROCK1ALDH1A1 | |
| SCHEMBL19954176 | 0.79 | SLC7A5 (0.57) | KMT2AROCK2ROCK1HDAC6HDAC8 | |
| SCHEMBL19954235 | 0.78 | ROCK2 (0.49) | KMT2AROCK2ROCK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9914740-B2 | Tricyclic pyrido-carboxamide derivatives as rock inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-03-13 | — | — | US | disclosed |