Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.42 |
| ▸ | HTR3B | O95264 | 2/20 | 0.42 |
| ▸ | HTR3A | P46098 | 2/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | HTR5A | P47898 | 1/20 | 0.42 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.40 |
| ▸ | HTR1D | P28221 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
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 SCHEMBL30355125 | 1.00 | HTR3E (0.42) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Trifluoroacetic Acid SCHEMBL30355108 | 0.77 | HTR3E (0.44) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL31743075 | 0.75 | ALDH1A1 (0.49) | HTR1AALDH1A1HSD17B10MAPTPKM | |
| Trifluoroacetic Acid SCHEMBL6336692 | 0.74 | ADRB1 (0.69) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Trifluoroacetic Acid SCHEMBL30437069 | 0.73 | PDK2 (0.49) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Trifluoroacetic Acid SCHEMBL5583357 | 0.72 | MAOB (0.58) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Phenylpiperazine SCHEMBL3979040 | 0.72 | HTR3E (0.69) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| Trifluoroacetic Acid SCHEMBL31458428 | 0.71 | DDB1 (0.58) | HRH4HTR1DHTR1AHTR1BHTR2C | |
| Trifluoroacetic Acid SCHEMBL26100592 | 0.71 | CRBN (0.53) | — | |
| Trifluoroacetic Acid SCHEMBL30182373 | 0.71 | ALDH1A1 (0.53) | HTR3EHTR3BHTR3AHTR3DHTR3C |
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 |