Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 6/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.49 |
| ▸ | RELA | Q04206 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24230149 | 1.00 | ALDH1A1 (0.55) | ALDH1A1KMT2APTPN11MAPTRAB9A | |
| SCHEMBL24230253 | 0.85 | ALDH1A1 (0.51) | ALDH1A1KMT2AMAPTRAB9AKDM4E | |
| SCHEMBL24230354 | 0.83 | MAOB (0.48) | ALDH1A1MAPTRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL15014372 | 0.83 | EGFR (0.53) | ALDH1A1KMT2APTPN11MAPTRAB9A | |
| SCHEMBL24229999 | 0.82 | NPC1 (0.51) | ALDH1A1KMT2APTPN11MAPTRAB9A | |
| SCHEMBL25241992 | 0.82 | GRM5 (0.48) | ALDH1A1KMT2APTPN11KDM4EL3MBTL1 | |
| SCHEMBL1105504 | 0.82 | TSHR (0.67) | ALDH1A1KMT2APTPN11MAPTRAB9A | |
| SCHEMBL22116791 | 0.82 | MAPT (0.54) | ALDH1A1KMT2APTPN11MAPTRAB9A | |
| SCHEMBL24230041 | 0.82 | GRM5 (0.51) | SMN1; SMN2HTTTSHRHPGDGRM5 | |
| SCHEMBL28524741 | 0.82 | PTPN11 (0.51) | ALDH1A1KMT2APTPN11MAPTRAB9A |
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-2022025636-A1 | DUAL REGULATOR FOR MGLUR5 AND 5-HT2A RECEPTORS AND USE THEREOF | 주식회사 비보존 | 2022-02-03 | — | — | WO | disclosed |