Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.67 |
| ▸ | LMNA | P02545 | 6/20 | 0.67 |
| ▸ | HTR1A | P08908 | 2/20 | 0.67 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.67 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.67 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.67 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.67 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.67 |
| ▸ | ACHE | P22303 | 1/20 | 0.67 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.67 |
| ▸ | PDE4A | P27815 | 1/20 | 0.67 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.67 |
| ▸ | DRD3 | P35462 | 1/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.67 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 5/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL8878647 | 0.98 | ALDH1A1 (0.69) | ALDH1A1LMNAHTR1AADRA1AKDM4E | |
| SCHEMBL27352550 | 0.92 | LMNA (0.68) | ALDH1A1LMNAHTR1AADRA1AKDM4E | |
| SCHEMBL8876804 | 0.91 | ALDH1A1 (0.60) | ALDH1A1LMNAHTR1AADRA1AKDM4E | |
| SCHEMBL8876105 | 0.91 | MAPT (0.62) | ALDH1A1LMNAHTR1AADRA1AKDM4E | |
| SCHEMBL10842166 | 0.91 | LMNA (0.58) | ALDH1A1LMNAHTR1AADRA1AKDM4E | |
| SCHEMBL10841682 | 0.90 | LMNA (0.57) | ALDH1A1LMNAHTR1AADRA1AKDM4E | |
| SCHEMBL8875388 | 0.90 | MAPT (0.69) | ALDH1A1LMNAHTR1AADRA1AKDM4E | |
| SCHEMBL8877000 | 0.89 | ALDH1A1 (0.56) | ALDH1A1LMNAHTR1AADRA1AKDM4E | |
| SCHEMBL27345512 | 0.88 | MAPT (0.59) | ALDH1A1LMNAHTR1AADRA1AKDM4E | |
| Hydrochloric Acid SCHEMBL10694179 | 0.88 | ALDH1A1 (0.57) | ALDH1A1LMNAHTR1AADRA1AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-5605896-A | Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities | RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) | 1997-02-25 | — | — | US | disclosed |
| US-5474994-A | Treating hypertension, urethral and lower urinary tract contractions | RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) | 1995-12-12 | — | — | US | 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 |