Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 5/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | IL4I1 | Q96RQ9 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | DDO | Q99489 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5089423 | 0.87 | KDM4E (0.55) | MAPK1NPSR1KDM4EALDH1A1HPGD | |
| Trifluoroacetic Acid SCHEMBL30355092 | 0.84 | KDM4E (0.50) | MAPK1NPSR1KDM4EALDH1A1HPGD | |
| Trifluoroacetic Acid SCHEMBL30355134 | 0.81 | DAO (0.44) | KDM4EALDH1A1HPGDHSD17B10DAO | |
| SCHEMBL4437503 | 0.80 | MAPK1 (0.58) | MAPK1NPSR1KDM4EALDH1A1HPGD | |
| Trifluoroacetic Acid SCHEMBL30355113 | 0.77 | RAB9A (0.49) | KDM4EALDH1A1TSHRHSD17B10MEN1 | |
| SCHEMBL17618004 | 0.75 | KDM4E (0.58) | MAPK1NPSR1KDM4EALDH1A1HPGD | |
| Trifluoroacetic Acid SCHEMBL30355104 | 0.74 | TAAR1 (0.40) | NPSR1ALDH1A1HPGDTSHRHSD17B10 | |
| SCHEMBL5678790 | 0.74 | MAPK1 (0.61) | MAPK1NPSR1KDM4EALDH1A1HPGD | |
| SCHEMBL30434363 | 0.74 | MAPK1 (0.61) | MAPK1NPSR1KDM4EALDH1A1HPGD | |
| Bicarbonate SCHEMBL6993932 | 0.74 | MAPK1 (0.61) | MAPK1NPSR1KDM4EALDH1A1HPGD |
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 |