Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.61 |
| ▸ | ABCG2 | Q9UNQ0 | 6/20 | 0.59 |
| ▸ | MAPT | P10636 | 7/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.57 |
| ▸ | HTT | P42858 | 4/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | GBA1 | P04062 | 2/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.50 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL14320027 | 0.79 | CYP1A2 (0.69) | CYP1A2CYP2D6ABCG2MAPTKDM4E | |
| SCHEMBL12340074 | 0.77 | MAPT (0.71) | CYP1A2CYP2D6ABCG2MAPTKDM4E | |
| SCHEMBL3500070 | 0.76 | CYP1A2 (1.00) | CYP1A2CYP2D6ABCG2MAPTKDM4E | |
| SCHEMBL8760167 | 0.75 | CYP1A2 (0.64) | CYP1A2CYP2D6ABCG2MAPTKDM4E | |
| SCHEMBL8760166 | 0.75 | CYP1A2 (0.64) | CYP1A2CYP2D6ABCG2MAPTKDM4E | |
| SCHEMBL21977560 | 0.75 | ABCG2 (1.00) | ABCG2MAPTKDM4EHTTNPSR1 | |
| SCHEMBL15080565 | 0.73 | CYP1A2 (0.61) | CYP1A2CYP2D6ABCG2MAPTKDM4E | |
| SCHEMBL21539005 | 0.73 | GAA (0.46) | CYP1A2CYP2D6MAPTKDM4EHTT | |
| SCHEMBL13243789 | 0.73 | KCNH3 (0.57) | MAPTKDM4EHTTLMNANPSR1 | |
| SCHEMBL1319075 | 0.72 | HDAC6 (0.57) | CYP1A2CYP2D6ABCG2MAPTMEN1 |
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-2019001572-A1 | RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF | 北京泰德制药股份有限公司 | 2019-01-03 | — | — | WO | disclosed |