Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MET | P08581 | 1/20 | 0.43 |
| ▸ | TDP2 | O95551 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8912504 | 0.99 | MET (0.42) | METTDP2HTR2AHTR2CHTR2B | |
| SCHEMBL30341566 | 0.88 | TDP2 (0.42) | METTDP2KDM1AMAOAMAOB | |
| SCHEMBL8912487 | 0.88 | TDP2 (0.42) | METTDP2KDM1AMAOAMAOB | |
| SCHEMBL8913831 | 0.80 | HTR2A (0.42) | METHTR2AHTR2CHTR2BSIGMAR1 | |
| SCHEMBL8913620 | 0.76 | SIGMAR1 (0.56) | HTR2AHTR2CHTR2BSIGMAR1 | |
| SCHEMBL8568665 | 0.72 | PKM (0.44) | HTR2AHTR6NR3C2 | |
| SCHEMBL10360424 | 0.71 | HTR6 (0.66) | HTR2AHTR2CHTR2BHTR6ALDH1A1 | |
| SCHEMBL1912704 | 0.71 | SIGMAR1 (0.64) | HTR2AHTR2CHTR2BSIGMAR1MAOA | |
| SCHEMBL6841697 | 0.71 | ADRA2A (0.47) | TDP2HTR2AHTR2CHTR2BSIGMAR1 | |
| Hydrochloric Acid SCHEMBL8565340 | 0.71 | PKM (0.43) | HTR6NR3C2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| US-5206240-A | Antiarrhythmia agents | MERCK & CO., INC. (US) | 1993-04-27 | — | — | US | disclosed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |