Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | BACE1 | P56817 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.31 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.31 |
| ▸ | ITGAL | P20701 | 1/20 | 0.31 |
| ▸ | HTR7 | P34969 | 1/20 | 0.31 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10694109 | 0.89 | POLB (0.35) | POLBHSD17B10DRD2HTTKDM4E | |
| SCHEMBL10692777 | 0.84 | OPRL1 (0.35) | POLBHSD17B10DRD2MAPTLMNA | |
| SCHEMBL10695992 | 0.84 | SCN9A (0.39) | KDM4EMAPTHCRTR1LMNAALDH1A1 | |
| SCHEMBL10690584 | 0.82 | ALDH1A1 (0.36) | POLBHSD17B10DRD2HTTMAPT | |
| SCHEMBL10759482 | 0.80 | SLC6A3 (0.42) | DRD2HTTKDM4EMAPTLMNA | |
| SCHEMBL10370705 | 0.80 | ALDH1A1 (0.36) | KDM4EMAPTHCRTR1LMNAALDH1A1 | |
| SCHEMBL10693548 | 0.80 | RAD52 (0.35) | POLBHSD17B10DRD2HTTMAPT | |
| SCHEMBL10763371 | 0.80 | HTR1A (0.42) | DRD2KDM4EALDH1A1TDP1 | |
| Hydrochloric Acid SCHEMBL10692827 | 0.80 | SLC6A3 (0.42) | DRD2HTTKDM4EMAPTLMNA | |
| SCHEMBL10757925 | 0.80 | SMPD1 (0.50) | KDM4EMAPT |
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 |