Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 5/20 | 0.47 |
| ▸ | HTR2A | P28223 | 9/20 | 0.43 |
| ▸ | HTR2C | P28335 | 8/20 | 0.43 |
| ▸ | HTR1A | P08908 | 5/20 | 0.43 |
| ▸ | HTR2B | P41595 | 5/20 | 0.43 |
| ▸ | HTR1B | P28222 | 4/20 | 0.43 |
| ▸ | HTR7 | P34969 | 3/20 | 0.43 |
| ▸ | HTR1D | P28221 | 3/20 | 0.43 |
| ▸ | HTR5A | P47898 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | HTR1E | P28566 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | DAO | P14920 | 3/20 | 0.42 |
| ▸ | DDO | Q99489 | 3/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
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 SCHEMBL30355112 | 1.00 | HTR6 (0.47) | HTR6HTR2AHTR2CHTR1AHTR2B | |
| Trifluoroacetic Acid SCHEMBL30355135 | 0.86 | RAB9A (0.47) | HTR6KDM4EALDH1A1HPGD | |
| Trifluoroacetic Acid SCHEMBL30355128 | 0.86 | RAB9A (0.47) | HTR6KDM4EALDH1A1HPGD | |
| Trifluoroacetic Acid SCHEMBL30355134 | 0.85 | DAO (0.44) | HTR2CHTR1AHTR1BHTR1DDAO | |
| Trifluoroacetic Acid SCHEMBL30355092 | 0.82 | KDM4E (0.50) | HTR2CKDM4EALDH1A1HPGD | |
| Trifluoroacetic Acid SCHEMBL30355122 | 0.73 | KDM4E (0.56) | KDM4EALDH1A1HPGD | |
| Trifluoroacetic Acid SCHEMBL30355136 | 0.73 | KDM4E (0.58) | KDM4EALDH1A1HPGD | |
| Trifluoroacetic Acid SCHEMBL30355113 | 0.72 | RAB9A (0.49) | HTR2AKDM4EALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL30355119 | 0.68 | NEK1 (0.39) | HTR2ADAODDONEK1 | |
| Trifluoroacetic Acid SCHEMBL30355116 | 0.68 | NEK1 (0.39) | HTR2ADAODDONEK1 |
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 |