Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.53 |
| ▸ | SMO | Q99835 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | DHFR | P00374 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.49 |
| ▸ | DRD3 | P35462 | 3/20 | 0.49 |
| ▸ | HTR1A | P08908 | 2/20 | 0.49 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | DRD1 | P21728 | 1/20 | 0.49 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | HTR7 | P34969 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8628212 | 0.91 | SMO (0.42) | SIGMAR1SMOKDM4EPOLBDHFR | |
| SCHEMBL15748030 | 0.88 | HTR2A (0.59) | SIGMAR1SLC6A4HTR2AADRA1ADRD3 | |
| SCHEMBL8633681 | 0.83 | RECQL (0.50) | SIGMAR1SMOPOLBADRA1ADRD3 | |
| SCHEMBL8631540 | 0.82 | KCNH2 (0.51) | POLBDHFRHTR2ADRD3HTR1A | |
| SCHEMBL8632193 | 0.82 | KDM4E (0.52) | KDM4EDRD3DRD1DRD2ALDH1A1 | |
| SCHEMBL8634968 | 0.80 | DRD4 (0.57) | SMOKDM4EPOLBALDH1A1CYP1A2 | |
| Hydrochloric Acid SCHEMBL8629946 | 0.79 | DRD4 (0.56) | SMOKDM4EPOLBALDH1A1CYP1A2 | |
| SCHEMBL8629124 | 0.78 | DRD4 (0.48) | SLC6A4ADRA1ADRD3HTR1ADRD2 | |
| SCHEMBL8631570 | 0.76 | MAPT (0.47) | SMOKDM4EPOLBSLC6A4DRD3 | |
| SCHEMBL8629425 | 0.76 | DRD4 (0.56) | KDM4EPOLBADRA1ADRD3HTR1A |
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-5780475-A | Antipsychotic indazole derivatives | MERCK, SHARP & DOHME LIMITED (GB) | 1998-07-14 | — | — | US | disclosed |