Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | KDM1A | O60341 | 2/20 | 0.32 |
| ▸ | ADH1B | P00325 | 1/20 | 0.32 |
| ▸ | ADH1A | P07327 | 1/20 | 0.32 |
| ▸ | ADH7 | P40394 | 1/20 | 0.32 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.31 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.31 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11827402 | 0.81 | EPHX1 (0.46) | TSHRALDH1A1CYP2C19CYP1A2MEN1 | |
| SCHEMBL5245179 | 0.80 | — | — | |
| SCHEMBL215173 | 0.80 | — | — | |
| SCHEMBL25921778 | 0.79 | TSHR (0.48) | TSHRALDH1A1PAOXCYP2C19CYP1A2 | |
| SCHEMBL18788095 | 0.79 | TSHR (0.48) | TSHRALDH1A1PAOXCYP2C19CYP1A2 | |
| SCHEMBL1247661 | 0.77 | TSHR (0.73) | TSHRALDH1A1PAOXCYP2C19CYP1A2 | |
| SCHEMBL15836236 | 0.76 | CYP2C19 (0.43) | TSHRALDH1A1PAOXCYP2C19CYP1A2 | |
| SCHEMBL11508173 | 0.74 | TSHR (0.69) | TSHRALDH1A1PAOXCYP2C19CYP1A2 | |
| SCHEMBL1781797 | 0.74 | TSHR (0.69) | TSHRALDH1A1PAOXCYP2C19CYP1A2 | |
| SCHEMBL1248078 | 0.74 | TSHR (0.69) | TSHRALDH1A1PAOXCYP2C19CYP1A2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3193379-B2 | — | — | 2001-07-30 | — | — | JP | claimed |
| US-5808038-A | ANTICARCER AGENT | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1998-09-15 | — | — | US | claimed |
| EP-0626943-A1 | BISTRIAZENES AS CHEMOTHERAPEUTIC AGENTS | THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1994-12-07 | — | — | EP | claimed |
| WO-1993009089-A1 | BISTRIAZENES AS CHEMOTHERAPEUTIC AGENTS | THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1993-05-13 | — | — | WO | claimed |
| EP-0626943-A1 | BISTRIAZENES AS CHEMOTHERAPEUTIC AGENTS | THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1994-12-07 | — | — | EP | disclosed |
| WO-1993009089-A1 | BISTRIAZENES AS CHEMOTHERAPEUTIC AGENTS | THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1993-05-13 | — | — | WO | disclosed |