Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | PLG | P00747 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.36 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3560896 | 0.82 | CYP2A6 (0.48) | CYP2A6PTPN1PTPN2CA1CA2 | |
| SCHEMBL744467 | 0.77 | CYP2A6 (0.50) | CYP2A6PTPN1PTPN2CA1CA2 | |
| SCHEMBL18825325 | 0.72 | CA1 (0.46) | CYP2A6PTPN1PTPN2CA1CA2 | |
| SCHEMBL1341822 | 0.71 | CYP2A6 (0.52) | CYP2A6PTPN1PTPN2CA1CA2 | |
| SCHEMBL29489123 | 0.71 | CYP2A6 (0.52) | CYP2A6PTPN1PTPN2CA1CA2 | |
| Benzene SCHEMBL28779520 | 0.69 | CA1 (0.55) | CYP2A6PTPN1PTPN2CA1CA2 | |
| Water SCHEMBL1898776 | 0.69 | CA1 (0.59) | CYP2A6PTPN1PTPN2CA1CA2 | |
| SCHEMBL31150958 | 0.69 | CA1 (0.59) | CYP2A6PTPN1PTPN2CA1CA2 | |
| SCHEMBL60579 | 0.69 | CA1 (0.59) | CYP2A6PTPN1PTPN2CA1CA2 | |
| SCHEMBL19678094 | 0.68 | ALDH1A1 (0.43) | CYP2A6MAOBTSHRKDM4EALDH1A1 |
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-5866577-A | AN ANTICOAGULANT AGENT | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 1999-02-02 | — | — | US | disclosed |