Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23652810 | 0.79 | TGFBR1 (0.39) | ACVR1 | |
| SCHEMBL22767997 | 0.78 | KMT2A (0.43) | PIN1ALDH1A1KMT2AMAPTHSD17B10 | |
| SCHEMBL31069265 | 0.76 | TGFBR1 (0.37) | ACVR1 | |
| SCHEMBL23645337 | 0.76 | TGFBR1 (0.37) | ACVR1 | |
| SCHEMBL27110040 | 0.72 | PDE4B (0.59) | — | |
| SCHEMBL21315407 | 0.71 | KCNK3 (0.33) | KMT2ASMN1; SMN2KDM4EHSD17B10MAPK1 | |
| SCHEMBL23652637 | 0.71 | — | — | |
| SCHEMBL22768040 | 0.70 | ALDH1A1 (0.39) | ALDH1A1KMT2APOLBMAPTKDM4E | |
| SCHEMBL2528673 | 0.70 | ALDH1A1 (0.40) | ALDH1A1MAPTKDM4EHSD17B10HPGD | |
| SCHEMBL20663920 | 0.65 | MPO (0.50) | ALDH1A1KMT2APOLBRAB9AMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024044351-A2 | SUBSTITUTED PYRAZOLES AND IMIDAZOLES AS OREXIN RECEPTOR ANTAGONISTS COMPOSITION, METHODS FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS | HAGER BIOSCIENCES, LLC (US) | 2024-02-29 | — | — | WO | disclosed |
| EP-3548484-A1 | BICYCLIC AMIDE COMPOUNDS AND METHODS OF USE THEREOF | F. Hoffmann-La Roche AG (CH) | 2019-10-09 | — | — | EP | disclosed |
| WO-2018100070-A1 | BICYCLIC AMIDE COMPOUNDS AND METHODS OF USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2018-06-07 | — | — | WO | disclosed |