Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | PKM | P14618 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22637484 | 1.00 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9APKML3MBTL1 | |
| SCHEMBL22637570 | 1.00 | ALDH1A1 (0.48) | ALDH1A1NPC1RAB9APKML3MBTL1 | |
| Phenol SCHEMBL21880208 | 0.86 | MEN1 (0.53) | ALDH1A1NPC1RAB9APKML3MBTL1 | |
| SCHEMBL21880199 | 0.81 | NPC1 (0.45) | ALDH1A1NPC1RAB9APKML3MBTL1 | |
| SCHEMBL21936041 | 0.81 | NPC1 (0.45) | ALDH1A1NPC1RAB9APKML3MBTL1 | |
| SCHEMBL21937103 | 0.78 | PTGS2 (0.44) | ALDH1A1NPC1RAB9AL3MBTL1SMN1; SMN2 | |
| SCHEMBL22637685 | 0.77 | CHRM1 (0.36) | ALDH1A1LMNAHPGD | |
| SCHEMBL22637684 | 0.77 | CHRM1 (0.36) | ALDH1A1LMNAHPGD | |
| SCHEMBL3701530 | 0.72 | — | — | |
| SCHEMBL3683850 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3963185-A1 | THERMAL STORAGE MATERIALS AND APPLICATIONS THEREOF | Brandeis University (US) | 2022-03-09 | — | — | EP | disclosed |
| WO-2020227227-A1 | THERMAL STORAGE MATERIALS AND APPLICATIONS THEREOF | BRANDEIS UNIVERSITY (US) | 2020-11-12 | — | — | WO | disclosed |