Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 6/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 6/20 | 0.44 |
| ▸ | TLR7 | Q9NYK1 | 5/20 | 0.44 |
| ▸ | HTR2C | P28335 | 4/20 | 0.42 |
| ▸ | QDPR | P09417 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.41 |
| ▸ | ITGA2 | P17301 | 2/20 | 0.41 |
| ▸ | CSF1R | P07333 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | P2RY14 | Q15391 | 3/20 | 0.40 |
| ▸ | HTR1A | P08908 | 2/20 | 0.40 |
| ▸ | DRD5 | P21918 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.40 |
| ▸ | PDE2A | O00408 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
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 SCHEMBL30355097 | 0.86 | HTR2A (0.44) | CSF1RSLC6A2DRD3SLC6A3INSR | |
| SCHEMBL31743121 | 0.79 | CA12 (0.48) | PDE2APDE3BPDE3A | |
| Trifluoroacetic Acid SCHEMBL722169 | 0.76 | AR (0.38) | — | |
| SCHEMBL22777921 | 0.76 | CA12 (0.46) | PDE3BPDE3A | |
| Trifluoroacetic Acid SCHEMBL30355108 | 0.74 | HTR3E (0.44) | HTR2CHTR1ASLC6A2SLC6A3SLC6A4 | |
| Trifluoroacetic Acid SCHEMBL8528751 | 0.74 | SLC18A3 (0.69) | HTR2CSIGMAR1 | |
| Trifluoroacetic Acid SCHEMBL2303613 | 0.74 | HTR2C (0.78) | HTR2CP2RY14HTR1ADRD5SLC6A2 | |
| Trifluoroacetic Acid SCHEMBL6698285 | 0.74 | HTR2C (0.54) | HTR2CQDPRITGB3ITGA2BITGA2 | |
| Trifluoroacetic Acid SCHEMBL21523769 | 0.73 | HTR2C (0.56) | HTR2CQDPRHTR1ASLC6A2SLC6A3 | |
| SCHEMBL30355098 | 0.72 | DRD2 (0.49) | CSF1RSLC6A2DRD3SLC6A3INSR |
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 |