Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.45 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.45 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL15842859 | 0.86 | CYP2A6 (0.62) | CYP2A6MAPTKMT2AMEN1KDM4E | |
| SCHEMBL5342730 | 0.83 | MAOA (0.56) | CYP2A6MAPTKMT2AMEN1KDM4E | |
| SCHEMBL27582314 | 0.82 | CA12 (0.44) | CYP2A6TDP1ALDH1A1CA9CA12 | |
| SCHEMBL15842260 | 0.82 | CYP2A6 (0.57) | CYP2A6MAPTKMT2AMEN1KDM4E | |
| SCHEMBL7546749 | 0.81 | BCHE (0.60) | MAPTKMT2AMEN1TDP1CA9 | |
| SCHEMBL28069517 | 0.81 | ADORA3 (0.55) | MAPTKDM4EHPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL8115043 | 0.75 | RAB9A (0.53) | MAPTKDM4EALDH1A1CA9CA12 | |
| SCHEMBL5114485 | 0.75 | CA9 (0.60) | MAPTKMT2AMEN1KDM4EHPGD | |
| SCHEMBL5346812 | 0.74 | ALDH1A1 (0.59) | KMT2AMEN1KDM4ETDP1HPGD | |
| SCHEMBL8114895 | 0.74 | CA9 (0.55) | MAPTKMT2AMEN1KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-1991012255-A1 | THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1991-08-22 | — | — | WO | disclosed |
| WO-1990001481-A1 | THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1990-02-22 | — | — | WO | disclosed |
| EP-0354693-A1 | Therapeutic agents | The Boots Company PLC (GB) | 1990-02-14 | — | — | EP | disclosed |