Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29463575 | 0.81 | PARP1 (0.35) | ALDH1A1MAPTHPGDKDM4ECYP1A2 | |
| SCHEMBL6605704 | 0.74 | MAPK1 (0.46) | ALDH1A1HPGDHTTMAPK1KDM4E | |
| SCHEMBL6605591 | 0.72 | F2RL3 (0.38) | ALDH1A1MAPTHPGDHTTKDM4E | |
| SCHEMBL6605145 | 0.72 | ALDH1A1 (0.51) | ALDH1A1MAPTHPGDHTTKDM4E | |
| SCHEMBL17708907 | 0.69 | MAOB (0.51) | ALDH1A1MAPTHPGDMAPK1KDM4E | |
| SCHEMBL30802586 | 0.69 | MAOB (0.51) | ALDH1A1MAPTHPGDMAPK1KDM4E | |
| SCHEMBL28926349 | 0.69 | MAOB (0.51) | ALDH1A1MAPTHPGDMAPK1KDM4E | |
| SCHEMBL29394302 | 0.66 | LMNA (0.62) | ALDH1A1MAPTHPGDKDM4ECYP1A1 | |
| SCHEMBL10517191 | 0.66 | ALDH1A1 (0.53) | ALDH1A1MAPK1 | |
| SCHEMBL29973114 | 0.64 | ACE (0.43) | ALDH1A1MAPTHPGDHTTKDM4E |
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-2022036040-A1 | SYNTHESIS OF SMALL MOLECULES INSPIRED BY PHOMOXANTHONE A | WORCESTER POLYTECHNIC INSTITUTE (US) | 2022-02-17 | — | — | WO | disclosed |