Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 3/20 | 0.30 |
| ▸ | RAB9A | P51151 | 3/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2437956 | 0.79 | PIN1 (0.44) | KDM4EPIN1ALDH1A1GAA | |
| SCHEMBL4622776 | 0.79 | TDP1 (0.44) | CYP2C19KDM4ETDP1MEN1KMT2A | |
| SCHEMBL11696312 | 0.79 | CYP2C19 (0.32) | CYP2C19TDP1 | |
| SCHEMBL9422178 | 0.70 | SRC (0.43) | CYP2C19KDM4ENPC1RAB9AMEN1 | |
| SCHEMBL14582918 | 0.70 | ALDH1A1 (0.50) | CYP2C19KDM4EMEN1KMT2AALDH1A1 | |
| SCHEMBL97819 | 0.70 | KMT2A (0.38) | CYP2C19KDM4ENPC1RAB9AMEN1 | |
| SCHEMBL7087038 | 0.69 | ALDH1A1 (0.47) | ALDH1A1 | |
| SCHEMBL5674897 | 0.69 | ALDH1A1 (0.47) | ALDH1A1HPGD | |
| SCHEMBL3147504 | 0.68 | ENPP2 (0.48) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL9979784 | 0.68 | NQO1 (0.44) | CYP2C19KDM4EMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8188011-B1 | Optimization of ligand affinity for RNA targets using mass spectrometry | ISIS PHARMACEUTICALS, INC. (US) | 2012-05-29 | — | — | US | disclosed |
| US-20050142581-A1 | Microrna as ligands and target molecules | ISIS PHARMACEUTICALS, INC. | 2005-06-30 | — | — | US | disclosed |
| US-6770486-B1 | IDENTIFICATION OF LIGAND COMPOUNDS THAT BIND TO TARGET MOLECULES SUCH AS PROTEINS OR STRUCTURED RNA WITH AS LITTLE AS MILLIMOLAR (MM) AFFINITY USING MASS SPECTROMETRY | ISIS PHARMACEUTICALS, INC. | 2004-08-03 | — | — | US | disclosed |