Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR3 | P51677 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 8/20 | 0.41 |
| ▸ | HTR2A | P28223 | 8/20 | 0.41 |
| ▸ | HTR7 | P34969 | 8/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 7/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1545311 | 0.82 | HTR1D (0.53) | CCR3ALDH1A1TDP1DRD2HTR2A | |
| Hydrochloric Acid SCHEMBL7722897 | 0.82 | HTR1D (0.52) | CCR3ALDH1A1TDP1DRD2HTR2A | |
| SCHEMBL8788170 | 0.80 | HTR2A (0.47) | CCR3DRD2HTR2AHTR7KCNH2 | |
| SCHEMBL8788085 | 0.79 | DRD2 (0.41) | DRD2HTR2AHTR7KCNH2SLC6A4 | |
| SCHEMBL8788375 | 0.79 | DRD2 (0.40) | DRD2HTR2AHTR7KCNH2SLC6A4 | |
| SCHEMBL21034705 | 0.77 | IDO1 (0.49) | DRD2KCNH2CYP3A4SLC6A4 | |
| SCHEMBL1545575 | 0.77 | DRD2 (0.70) | DRD2HTR2AHTR7KCNH2SLC6A4 | |
| SCHEMBL6994781 | 0.76 | DRD2 (0.53) | ALDH1A1TDP1DRD2HTR2AKDM4E | |
| SCHEMBL8787809 | 0.74 | HTR1A (0.41) | DRD2HTR2AHTR7 | |
| SCHEMBL8789213 | 0.74 | DRD2 (0.43) | DRD2HTR2AHTR7SLC6A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0730452-A4 | HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS | HOECHST ROUSSEL PHARMA (US) | 1997-03-19 | — | — | EP | claimed |
| EP-0730452-A1 | HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS | HOECHST MARION ROUSSEL, Inc. (US) | 1996-09-11 | — | — | EP | claimed |
| EP-0730452-A4 | HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS | HOECHST ROUSSEL PHARMA (US) | 1997-03-19 | — | — | EP | disclosed |
| EP-0730452-A1 | HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS | HOECHST MARION ROUSSEL, Inc. (US) | 1996-09-11 | — | — | EP | disclosed |