Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.46 |
| ▸ | PDE2A | O00408 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | STAT1 | P42224 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TTK | P33981 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | ALPL | P05186 | 1/20 | 0.37 |
| ▸ | ALPI | P09923 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PKLR | P30613 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15973035 | 0.79 | ROCK2 (0.48) | ROCK2PDE2ANPSR1RXFP1ALDH1A1 | |
| SCHEMBL15240439 | 0.79 | ROCK2 (0.48) | ROCK2PDE2ANPSR1RXFP1ALDH1A1 | |
| SCHEMBL18901296 | 0.79 | ROCK2 (0.51) | ROCK2PDE2ANPSR1RXFP1ALDH1A1 | |
| SCHEMBL15972991 | 0.77 | MEN1 (0.52) | ROCK2PDE2AMAPTPOLBLMNA | |
| SCHEMBL16377287 | 0.77 | ROCK2 (0.46) | ROCK2PDE2ANPSR1RXFP1ALDH1A1 | |
| SCHEMBL11209858 | 0.75 | MAPT (0.70) | ROCK2RXFP1ALDH1A1MAPTKDM4E | |
| SCHEMBL16345023 | 0.75 | ROCK2 (0.63) | ROCK2PDE2A | |
| SCHEMBL6856438 | 0.75 | CYP2A6 (0.45) | ALDH1A1MAPTKDM4ERAB9ALMNA | |
| SCHEMBL30367521 | 0.75 | CYP2A6 (0.45) | ALDH1A1MAPTKDM4ERAB9ALMNA | |
| SCHEMBL10816890 | 0.74 | KMT2A (0.50) | ROCK2NPSR1RXFP1ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |