Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | NEK1 | Q96PY6 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 3/20 | 0.35 |
| ▸ | DHODH | Q02127 | 3/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | DDO | Q99489 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 2/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 2/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL30355116 | 0.84 | NEK1 (0.39) | NEK1DHODHRAD52BLMDAO | |
| Trifluoroacetic Acid SCHEMBL30355119 | 0.84 | NEK1 (0.39) | NEK1DHODHRAD52BLMDAO | |
| Trifluoroacetic Acid SCHEMBL30355134 | 0.79 | DAO (0.44) | NEK1HTR2CDHODHDAODDO | |
| Trifluoroacetic Acid SCHEMBL30355103 | 0.74 | MAPK1 (0.51) | NPSR1DAODDOTSHRALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL30355113 | 0.73 | RAB9A (0.49) | DHODHHTR2ATSHRALDH1A1RAB9A | |
| SCHEMBL4425807 | 0.72 | GPR17 (0.52) | NPSR1 | |
| SCHEMBL4426955 | 0.66 | DAO (0.56) | DAODDOALDH1A1LMNAHPGD | |
| SCHEMBL27246857 | 0.65 | RAB9A (0.38) | ALDH1A1LMNAHPGDRAB9AHSD17B10 | |
| Trifluoroacetic Acid SCHEMBL30355112 | 0.64 | HTR6 (0.47) | NEK1HTR2CDAODDOHTR7 | |
| Tryptamine SCHEMBL4776238 | 0.61 | HTR7 (0.71) | TAAR1HTR2CBLMHTR7HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023060255-A1 | QUINOLONE ALKYL AMINES AS NOVEL SEROTONIN 2A RECEPTOR (5HT2AR) AGONISTS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2023-04-13 | — | — | WO | disclosed |