Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 4/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HTR7 | P34969 | 2/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10695992 | 0.87 | SCN9A (0.39) | TDP1L3MBTL1ATMADRA1AADRA1D | |
| SCHEMBL10691444 | 0.86 | ALDH1A1 (0.43) | TDP1L3MBTL1ATMADRA1AADRA1D | |
| SCHEMBL10694109 | 0.83 | POLB (0.35) | L3MBTL1ADRA1AADRA1DADRA1BALDH1A1 | |
| SCHEMBL10694392 | 0.82 | NPC1 (0.47) | ALDH1A1HTR7TSHRMAPTKDM4E | |
| SCHEMBL10689170 | 0.81 | ADRA1A (0.40) | ADRA1AADRA1DADRA1BALDH1A1SCN9A | |
| SCHEMBL10759620 | 0.78 | DRD2 (0.41) | TDP1ADRA1AADRA1DADRA1BALDH1A1 | |
| SCHEMBL10754672 | 0.78 | SMPD1 (0.51) | CYP1A2CYP3A4MAPTDRD2DRD3 | |
| SCHEMBL10691597 | 0.78 | ADRA1A (0.39) | TDP1L3MBTL1ATMADRA1AADRA1D | |
| Oxalic Acid SCHEMBL10694123 | 0.75 | SMPD1 (0.48) | ALDH1A1CYP3A4MAPTKDM4E | |
| SCHEMBL10694474 | 0.73 | CYP3A4 (0.41) | TDP1L3MBTL1ADRA1AADRA1DADRA1B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4778793-A | CONTROLLING CALCIUM CONCENTRATION-CARDIOVASCULAR DISORDERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-10-18 | — | — | US | disclosed |
| EP-0212216-A1 | Dihydroquinolinone derivatives, processes for their preparation, medicaments containing them, the use of these medicaments, and intermediates for their preparation | HOECHST AKTIENGESELLSCHAFT (DE) | 1987-03-04 | — | — | EP | disclosed |