Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | LGALS8 | O00214 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7400068 | 0.86 | EGFR (0.44) | EGFRTSHRHSP90AA1PAX8ALDH1A1 | |
| SCHEMBL7400440 | 0.86 | ATM (0.43) | EGFRTSHRHSP90AA1PAX8SMN1; SMN2 | |
| SCHEMBL7400483 | 0.73 | LGALS8 (0.36) | EGFRTSHRHSP90AA1PAX8SMN1; SMN2 | |
| SCHEMBL4900253 | 0.73 | HSP90AA1 (0.37) | TSHRHSP90AA1PAX8 | |
| SCHEMBL30861792 | 0.73 | HSP90AA1 (0.37) | TSHRHSP90AA1PAX8 | |
| SCHEMBL7403091 | 0.72 | LMNA (0.59) | TSHRALDH1A1SMN1; SMN2HTTHSD17B10 | |
| SCHEMBL15978828 | 0.71 | CES2 (0.35) | TSHRGAAHTTMAPT | |
| SCHEMBL7403362 | 0.71 | ALDH1A1 (0.43) | EGFRTSHRALDH1A1SMN1; SMN2CYP2D6 | |
| SCHEMBL7400103 | 0.70 | MAPK1 (0.55) | ALDH1A1HSD17B10MAPT | |
| SCHEMBL1675990 | 0.68 | EGFR (0.56) | EGFRTSHRCYP2D6GAAMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6133446-A | Heterocyclic compounds for the treatment of CNS and cardiovascular disorders | PHARMACIA & UPJOHN COMPANY (US) | 2000-10-17 | — | — | US | disclosed |
| EP-0737189-B1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | UPJOHN CO (US) | 1999-07-28 | — | — | EP | disclosed |
| US-5877317-A | Heterocyclic compounds for the treatment of CNS and cardiovascular disorders | PHARMACIA & UPJOHN COMPANY (US) | 1999-03-02 | — | — | US | disclosed |
| WO-1995018118-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF CNS AND CARDIOVASCULAR DISORDERS | THE UPJOHN COMPANY (US) | 1995-07-06 | — | — | WO | disclosed |