Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 4/20 | 0.62 |
| ▸ | NOTUM | Q6P988 | 6/20 | 0.48 |
| ▸ | HTR2C | P28335 | 2/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | KDM1B | Q8NB78 | 1/20 | 0.37 |
| ▸ | SLC9A1 | P19634 | 2/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | SLC9A2 | Q9UBY0 | 1/20 | 0.36 |
| ▸ | RBP4 | P02753 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16762010 | 0.93 | KDM1A (0.58) | KDM1ANOTUMHTR2CPDE3BPDE3A | |
| SCHEMBL1918745 | 0.93 | KDM1A (0.58) | KDM1ANOTUMHTR2CPDE3BPDE3A | |
| SCHEMBL15156338 | 0.91 | KDM1A (0.57) | KDM1ANOTUMHTR2CPDE3BPDE3A | |
| SCHEMBL28503650 | 0.85 | KDM1A (0.51) | KDM1ANOTUMSLC9A1ADRA1DHTR2A | |
| SCHEMBL24633967 | 0.85 | KDM1A (0.49) | KDM1ANOTUMHTR2CKDM1BRBP4 | |
| SCHEMBL1986983 | 0.77 | NOTUM (0.48) | NOTUMHTR2CPDE3BPDE3ASLC9A1 | |
| SCHEMBL16957247 | 0.77 | NOTUM (0.54) | KDM1ANOTUMHTR2CPDE3BPDE3A | |
| SCHEMBL16957244 | 0.77 | NOTUM (0.51) | KDM1ANOTUMHTR2CPDE3BPDE3A | |
| SCHEMBL18121657 | 0.77 | NOTUM (0.48) | KDM1ANOTUMHTR2CPDE3BPDE3A | |
| SCHEMBL14592943 | 0.77 | TSHR (0.53) | KDM1ANOTUMHTR2CPDE3BPDE3A |
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 |
|---|---|---|---|---|---|---|---|
| CN-106414429-A | Pyrazole compounds and their use as T-type calcium channel blockers | 埃科特莱茵药品有限公司 | 2017-02-15 | — | — | CN | disclosed |