Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.46 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL2294639 | 0.86 | ADRB2 (0.56) | GSK3BMAPK1ALDH1A1ADRB2ADRB1 | |
| SCHEMBL2293183 | 0.78 | GSK3B (0.57) | GSK3BMAPK1ALDH1A1POLBCES1 | |
| SCHEMBL255269 | 0.78 | GSK3B (0.61) | GSK3BMAPK1ALDH1A1CES1NPC1 | |
| SCHEMBL671514 | 0.76 | GSK3B (0.67) | GSK3BMAPK1ALDH1A1CES1CA1 | |
| SCHEMBL4472065 | 0.75 | SMN1; SMN2 (0.58) | GSK3BMAPK1ALDH1A1CES1NPC1 | |
| SCHEMBL1699076 | 0.75 | GSK3B (0.57) | GSK3BMAPK1ALDH1A1ADRB2ADRB1 | |
| SCHEMBL11510574 | 0.75 | GSK3B (0.71) | GSK3BMAPK1ALDH1A1POLBCES1 | |
| SCHEMBL255479 | 0.74 | GSK3B (0.61) | GSK3BMAPK1ALDH1A1POLBCES1 | |
| SCHEMBL14041426 | 0.74 | GSK3B (0.61) | GSK3BMAPK1ALDH1A1CES1CA1 | |
| SCHEMBL23728041 | 0.74 | PPARG (0.49) | GSK3BMAPK1ALDH1A1ADRB2ADRB1 |
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 |