Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.63 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.63 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.63 |
| ▸ | HSPB1 | P04792 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | THRB | P10828 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | MYOC | Q99972 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL177626 | 0.90 | HSPB1 (0.66) | MEN1KMT2APTGS1PTGS2HSPB1 | |
| SCHEMBL311582 | 0.90 | KMT2A (0.73) | MEN1KMT2APTGS1PTGS2HSPB1 | |
| SCHEMBL11190066 | 0.88 | ALDH1A1 (0.67) | MEN1KMT2APTGS1PTGS2HSPB1 | |
| SCHEMBL1283744 | 0.86 | HSPB1 (0.56) | MEN1KMT2APTGS1PTGS2HSPB1 | |
| SCHEMBL19433282 | 0.85 | MEN1 (0.50) | MEN1KMT2APTGS1PTGS2HSPB1 | |
| SCHEMBL20328414 | 0.84 | APP (0.70) | MEN1KMT2APTGS1PTGS2HSPB1 | |
| SCHEMBL20328415 | 0.84 | APP (0.70) | MEN1KMT2APTGS1PTGS2HSPB1 | |
| SCHEMBL492221 | 0.84 | APP (0.70) | MEN1KMT2APTGS1PTGS2HSPB1 | |
| SCHEMBL11689190 | 0.84 | HSPB1 (0.79) | MEN1KMT2APTGS1PTGS2HSPB1 | |
| 4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 | 0.84 | HSPB1 (0.79) | MEN1KMT2APTGS1PTGS2HSPB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3892602-A1 | METHOD FOR THE PREPARATION OF DEUTERATED OR TRITIATED COMPOUNDS | Friedrich-Alexander-Universität Erlangen-Nürnberg (DE) | 2021-10-13 | — | — | EP | disclosed |