Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 10/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.58 |
| ▸ | TSHR | P16473 | 5/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
| ▸ | MPO | P05164 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
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 SCHEMBL30355122 | 0.91 | KDM4E (0.56) | KDM4EHSD17B10ALDH1A1TSHRSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL30355092 | 0.83 | KDM4E (0.50) | KDM4EHSD17B10ALDH1A1TSHRSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL30355128 | 0.77 | RAB9A (0.47) | KDM4EHSD17B10ALDH1A1TP53KMT2A | |
| Trifluoroacetic Acid SCHEMBL30355135 | 0.77 | RAB9A (0.47) | KDM4EHSD17B10ALDH1A1TP53KMT2A | |
| SCHEMBL4659631 | 0.76 | KDM4E (0.61) | KDM4EHSD17B10ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL7075514 | 0.76 | HSD17B10 (0.68) | KDM4EHSD17B10ALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL7073003 | 0.74 | HSD17B10 (0.66) | KDM4EHSD17B10ALDH1A1TSHRSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL30355112 | 0.73 | HTR6 (0.47) | KDM4EALDH1A1HPGD | |
| Trifluoroacetic Acid SCHEMBL30355121 | 0.73 | HTR6 (0.47) | KDM4EALDH1A1HPGD | |
| SCHEMBL7073150 | 0.73 | KDM4E (0.63) | KDM4EHSD17B10ALDH1A1TSHRSMN1; SMN2 |
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 |