Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | DRD3 | P35462 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9567471 | 1.00 | ALDH1A1 (0.47) | ALDH1A1LMNAKDM4EADORA3CYP1A2 | |
| SCHEMBL8876470 | 0.86 | CYSLTR1 (0.44) | ALDH1A1LMNAKDM4EADORA3CYP1A2 | |
| SCHEMBL8876466 | 0.86 | CYSLTR1 (0.44) | ALDH1A1LMNAKDM4EADORA3CYP1A2 | |
| SCHEMBL8878647 | 0.79 | ALDH1A1 (0.69) | ALDH1A1LMNAKDM4EADORA3CYP1A2 | |
| SCHEMBL9161742 | 0.78 | STING1 (0.58) | KDM4EGLAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL9164869 | 0.78 | MCL1 (0.43) | ALDH1A1LMNAKDM4EADORA3CYP3A4 | |
| SCHEMBL9164874 | 0.78 | MCL1 (0.43) | ALDH1A1LMNAKDM4EADORA3CYP3A4 | |
| SCHEMBL8875460 | 0.77 | ALDH1A1 (0.67) | ALDH1A1LMNAKDM4EADORA3CYP1A2 | |
| SCHEMBL8876847 | 0.75 | CLEC4M (0.47) | ALDH1A1LMNAKDM4EADORA3CYP1A2 | |
| SCHEMBL11329873 | 0.75 | TSHR (0.54) | ALDH1A1KDM4ECYP1A2CYP3A4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-1040434-C | Heterobicyclic compounds | RECORDATI CHEM PHARM (CH) | 1998-10-28 | — | — | CN | disclosed |
| CN-1079738-A | Heterobicyclic compounds | RECORDATI CHEM PHARM (CH) | 1993-12-22 | — | — | CN | disclosed |
| WO-1993017007-A1 | HETEROBICYCLIC COMPOUNDS | RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) | 1993-09-02 | — | — | WO | disclosed |
| EP-0558245-A1 | Heterobicyclic compounds as antagogists of alpha-1 adrenergic and SHT1A receptors | RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) | 1993-09-01 | — | — | EP | disclosed |