Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CDK1 | P06493 | 1/20 | 0.35 |
| ▸ | TPI1 | P60174 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | HTR1E | P28566 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14649412 | 0.73 | ALDH1A1 (0.37) | KMT2ANPC1RAB9AGAAL3MBTL1 | |
| SCHEMBL15667389 | 0.71 | EPHX2 (0.50) | KMT2ANPC1RAB9AEPHX2GAA | |
| SCHEMBL8640462 | 0.70 | KMT2A (0.35) | KMT2ANPC1RAB9AGAAMAPT | |
| SCHEMBL6013388 | 0.69 | MAPT (0.59) | KMT2ANPC1RAB9AEPHX2GAA | |
| SCHEMBL9537153 | 0.68 | ALDH1A1 (0.62) | KMT2ARAB9AL3MBTL1MAPTRXFP1 | |
| SCHEMBL16334263 | 0.67 | SMN1; SMN2 (0.66) | KMT2ANPC1RAB9AEPHX2GAA | |
| SCHEMBL2553972 | 0.67 | EPHX2 (0.46) | KMT2ANPC1RAB9AEPHX2GAA | |
| SCHEMBL9412532 | 0.67 | KDM4E (0.51) | KMT2ANPC1RAB9AEPHX2GAA | |
| SCHEMBL15075764 | 0.66 | KDM4E (0.44) | KMT2ANPC1RAB9AEPHX2GAA | |
| SCHEMBL31085215 | 0.64 | EPHX2 (0.44) | KMT2ANPC1RAB9AEPHX2GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-5830672-A | MEASUREMENT WITH ANTIBODIES OF DIFFERENT METABOLITES OF CAFFEINE AFTER DRINKING COFFEE | MCGILL UNIVERSITY (CA) | 1998-11-03 | — | — | US | claimed |