Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | SUCNR1 | Q9BXA5 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | ITK | Q08881 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1742082 | 0.82 | BCHE (0.46) | BCHECNR2SUCNR1CA12CA1 | |
| SCHEMBL1744030 | 0.82 | BCHE (0.46) | BCHECNR2SUCNR1CA12CA1 | |
| SCHEMBL25030441 | 0.79 | BCHE (0.46) | BCHECNR2SUCNR1CA12CA1 | |
| SCHEMBL3641514 | 0.78 | CYP1A2 (0.43) | KDM4EMAPTADRB2CYP1A2ABCB1 | |
| SCHEMBL526360 | 0.77 | CA12 (0.49) | SUCNR1CA12CA1CA2CA9 | |
| SCHEMBL16065292 | 0.76 | SUCNR1 (0.51) | BCHECNR2SUCNR1EGFRITK | |
| SCHEMBL375896 | 0.74 | TBXAS1 (0.48) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL1743881 | 0.73 | CA12 (0.50) | SUCNR1CA12CA1CA2CA9 | |
| SCHEMBL13166235 | 0.73 | KDM4E (0.46) | CA12CA1CA2CA9KDM4E | |
| SCHEMBL38652880 | 0.73 | AAK1 (0.47) | CA12CA1CA2CA9KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1981889-A1 | CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE | Sanofi-Aventis (FR) | 2008-10-22 | — | — | EP | disclosed |
| WO-2007085930-A1 | CYTOTOXIC AGENTS COMPRISING NEW TOMAYMYCIN DERIVATIVES AND THEIR THERAPEUTIC USE | SANOFI-AVENTIS (FR) | 2007-08-02 | — | — | WO | disclosed |