Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 11/20 | 0.44 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | QDPR | P09417 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
| ▸ | NAMPT | P43490 | 1/20 | 0.34 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11828175 | 0.86 | SLC18A3 (0.55) | HTR2CSLC18A3SIGMAR1QDPRHTR3A | |
| Tert-Butyl Formate SCHEMBL27674643 | 0.85 | HTR2C (0.44) | HTR2CSLC18A3SIGMAR1TDP1QDPR | |
| Tert-Butyl Formate SCHEMBL27950764 | 0.85 | HTR2C (0.44) | HTR2CSLC18A3SIGMAR1TDP1QDPR | |
| Tert-Butyl Formate SCHEMBL27318173 | 0.85 | HTR2C (0.44) | HTR2CSLC18A3SIGMAR1TDP1QDPR | |
| Tert-Butyl Formate SCHEMBL27562128 | 0.85 | HTR2C (0.47) | HTR2CSLC18A3SIGMAR1TDP1 | |
| Tert-Butyl Formate SCHEMBL28096252 | 0.85 | HTR3A (0.53) | HTR2CSLC18A3SIGMAR1TDP1HTR3A | |
| Tert-Butyl Formate SCHEMBL28822640 | 0.85 | TDP1 (0.41) | TDP1HTR3A | |
| Tert-Butyl Formate SCHEMBL27488567 | 0.85 | SLC18A3 (0.62) | HTR2CSLC18A3SIGMAR1TDP1 | |
| Tert-Butyl Formate SCHEMBL28123133 | 0.84 | HTR2C (0.43) | HTR2CSLC18A3SIGMAR1TDP1QDPR | |
| Tert-Butyl Formate SCHEMBL28096208 | 0.83 | HTR2C (0.42) | HTR2CSLC18A3SIGMAR1TDP1QDPR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104662006-A | Quinazolinone derivatives as PARP inhibitors | MERCK PATENT GMBH | 2015-05-27 | — | — | CN | disclosed |