Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11330365 | 0.82 | HTR6 (0.46) | ALDH1A1KMT2ANPSR1SMN1; SMN2HSD17B10 | |
| SCHEMBL17028882 | 0.72 | ALDH1A1 (0.50) | ALDH1A1CYP3A4MAPK1KMT2AMEN1 | |
| SCHEMBL2122579 | 0.70 | ALDH1A1 (1.00) | ALDH1A1CYP3A4MAPK1KMT2AMEN1 | |
| SCHEMBL9313173 | 0.70 | ALDH1A1 (1.00) | ALDH1A1CYP3A4MAPK1KMT2AMEN1 | |
| SCHEMBL4328031 | 0.70 | ALDH1A1 (1.00) | ALDH1A1CYP3A4MAPK1KMT2AMEN1 | |
| SCHEMBL22742 | 0.70 | ALDH1A1 (1.00) | ALDH1A1CYP3A4MAPK1KMT2AMEN1 | |
| SCHEMBL9359824 | 0.69 | ALDH1A1 (0.50) | ALDH1A1CYP3A4MAPK1KMT2AMEN1 | |
| SCHEMBL17028967 | 0.69 | ALDH1A1 (0.50) | ALDH1A1CYP3A4MAPK1KMT2AMEN1 | |
| SCHEMBL16713293 | 0.68 | ALDH1A1 (0.94) | ALDH1A1CYP3A4MAPK1KMT2AMEN1 | |
| SCHEMBL17028847 | 0.66 | ALDH1A1 (0.50) | ALDH1A1CYP3A4MAPK1KMT2AMEN1 |
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-2015124606-A1 | N-SUBSTITUTED IMINO HETEROCYCLIC COMPOUNDS FOR COMBATING INVERTEBRATE PESTS | BASF SE (DE) | 2015-08-27 | — | — | WO | disclosed |