Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 7/20 | 0.31 |
| ▸ | CNR1 | P21554 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5617928 | 0.78 | ALDH1A1 (0.42) | CYP2C19ALDH1A1TSHRIDO1CNR2 | |
| SCHEMBL14948436 | 0.73 | SLC6A2 (0.39) | KMT2ANPSR1CYP2C19ALDH1A1TSHR | |
| Hydrochloric Acid SCHEMBL8923137 | 0.73 | CXCR4 (0.35) | KMT2AALDH1A1TSHR | |
| SCHEMBL14948375 | 0.72 | ALDH1A1 (0.41) | KMT2ACYP2C19ALDH1A1TSHRCNR2 | |
| SCHEMBL4349827 | 0.70 | BACE1 (0.42) | KMT2ANPSR1IDO1 | |
| Methylene Chloride SCHEMBL10948817 | 0.69 | ALDH1A1 (0.50) | NPSR1CYP2C19ALDH1A1TSHRIDO1 | |
| SCHEMBL45443 | 0.69 | — | — | |
| SCHEMBL27848176 | 0.68 | NPSR1 (0.39) | KMT2ANPSR1ALDH1A1 | |
| SCHEMBL6914100 | 0.68 | ESR1 (0.37) | KMT2ANPSR1CYP2C19TSHR | |
| Trimethylammonium SCHEMBL9757620 | 0.67 | IDO1 (0.46) | ALDH1A1TSHRIDO1 |
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-5817430-A | POLYARYLENEVINYLENE POLYMER | XEROX CORPORATION (US) | 1998-10-06 | — | — | US | claimed |
| US-5876865-A | POLYARYLENEVINYLENE RESIN | XEROX CORPORATION (US) | 1999-03-02 | — | — | US | disclosed |
| US-5817430-A | POLYARYLENEVINYLENE POLYMER | XEROX CORPORATION (US) | 1998-10-06 | — | — | US | disclosed |