Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | CHRNA10 | Q9GZZ6 | 1/20 | 0.44 |
| ▸ | CHRNA9 | Q9UGM1 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 6/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 6/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 6/20 | 0.42 |
| ▸ | HTR7 | P34969 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1481831 | 0.81 | HRH3 (0.55) | KDM4ETP53HRH3CYP2D6GSK3B | |
| SCHEMBL30720288 | 0.80 | TP53 (0.47) | KDM4ETP53ADRA2AADRA2BADRA2C | |
| Hydrochloric Acid SCHEMBL1482412 | 0.80 | HRH3 (0.54) | KDM4ETP53HRH3CYP2D6GSK3B | |
| SCHEMBL17898055 | 0.80 | ADRA2A (0.52) | ADRA2AADRA2BADRA2C | |
| SCHEMBL10293570 | 0.80 | ADRA2A (0.52) | ADRA2AADRA2BADRA2C | |
| SCHEMBL81498 | 0.80 | ADRA2A (0.52) | ADRA2AADRA2BADRA2C | |
| SCHEMBL24518340 | 0.78 | CDK4 (0.47) | ADRA2AADRA2BADRA2C | |
| SCHEMBL188192 | 0.78 | ADRA2A (0.41) | ADRA2AADRA2BADRA2C | |
| SCHEMBL188069 | 0.78 | ADRA2C (0.56) | KDM4ETP53ADRA2AADRA2BADRA2C | |
| SCHEMBL15858055 | 0.78 | ADRA2A (0.52) | KDM4ECYP2D6GSK3BADRA2AADRA2B |
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-2017029601-A1 | HETEROARYL DERIVATIVES AS PARP INHIBITORS | LUPIN LIMITED (IN) | 2017-02-23 | — | — | WO | disclosed |