Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | TAS2R14 | Q9NYV8 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL7876125 | 0.90 | ALDH1A1 (0.41) | ALDH1A1KMT2AMEN1LMNA | |
| SCHEMBL7872649 | 0.73 | EGFR (0.41) | ALDH1A1KMT2AMEN1CYP2C9TAS2R14 | |
| Cyclopropane Carboxylic Acid SCHEMBL11417058 | 0.71 | ALDH1A1 (0.65) | ALDH1A1KMT2AMEN1CYP2C9TAS2R14 | |
| Cyclopropane Carboxylic Acid SCHEMBL28088247 | 0.71 | ALDH1A1 (0.65) | ALDH1A1KMT2AMEN1CYP2C9TAS2R14 | |
| SCHEMBL20501797 | 0.69 | ALDH1A1 (0.61) | ALDH1A1KMT2AMEN1CYP2C9TAS2R14 | |
| SCHEMBL30393372 | 0.68 | ALDH1A1 (0.61) | ALDH1A1KMT2AMEN1CYP2C9TAS2R14 | |
| Bicarbonate SCHEMBL28890668 | 0.68 | ALDH1A1 (0.50) | ALDH1A1LMNA | |
| Cyclopropane Carboxylic Acid SCHEMBL10978847 | 0.68 | ALDH1A1 (0.57) | ALDH1A1KMT2AMEN1CYP2C9TAS2R14 | |
| SCHEMBL3661459 | 0.68 | CYP2D6 (0.58) | ALDH1A1KMT2AMEN1CYP2C9TAS2R14 | |
| SCHEMBL26114075 | 0.68 | CYP2D6 (0.58) | ALDH1A1KMT2AMEN1CYP2C9TAS2R14 |
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-6316623-B1 | USEFUL FOR SCREENING IN BIOLOGICAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS | ISIS PHARMACEUTICALS, INC. | 2001-11-13 | — | — | US | disclosed |