Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | MC3R | P41968 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7813214 | 0.89 | ALDH1A1 (0.52) | ALDH1A1CHRM2ADRA2ACYP2D6CHRM1 | |
| SCHEMBL19153976 | 0.88 | SIGMAR1 (0.65) | SIGMAR1ALDH1A1ADRA2ACYP2D6DRD2 | |
| Oxalic Acid SCHEMBL6970867 | 0.88 | KDM4E (0.47) | ALDH1A1CHRM2ADRA2ACYP2D6CHRM1 | |
| SCHEMBL6968455 | 0.86 | SIGMAR1 (0.53) | SIGMAR1ALDH1A1CHRM2ADRA2ACYP2D6 | |
| Hydrochloric Acid SCHEMBL6956807 | 0.86 | KDM4E (0.53) | ALDH1A1LMNAMAPTKDM4ELTA4H | |
| Hydrochloric Acid SCHEMBL6971970 | 0.85 | LMNA (0.52) | SIGMAR1ALDH1A1CHRM2ADRA2ACYP2D6 | |
| SCHEMBL6963393 | 0.82 | SIGMAR1 (0.50) | SIGMAR1ALDH1A1CHRM2ADRA2ACYP2D6 | |
| SCHEMBL6957956 | 0.81 | KDM4E (0.47) | ALDH1A1HRH1LMNAMAPTKDM4E | |
| SCHEMBL19154143 | 0.80 | ALDH1A1 (0.50) | ALDH1A1LMNAMAPTKDM4ESMN1; SMN2 | |
| Oxalic Acid SCHEMBL6959081 | 0.80 | ALDH1A1 (0.49) | ALDH1A1CYP2D6DRD2HTR2AKDM4E |
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-0934313-B1 | N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS | NOVO NORDISK AS (DK) | 2003-05-14 | — | — | EP | disclosed |
| US-6004983-A | ANALGESICS; ANTIINFLAMMATORY, ANTIARTHRITIC AND ANTIDIABETIC AGENTS | NOVO NORDISK A/S (DE) | 1999-12-21 | — | — | US | disclosed |
| EP-0934313-A1 | N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS | NOVO NORDISK A/S (DK) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998015549-A1 | N-SUBSTITUTED AZAHETEROCYCLIC COMPOUNDS | NOVO NORDISK A/S (DK) | 1998-04-16 | — | — | WO | disclosed |