Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSF1 | Q00613 | 12/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5015179 | 1.00 | HSF1 (0.51) | HSF1CYP2D6TSHRHIF1AABCB1 | |
| Hydrochloric Acid SCHEMBL5017215 | 0.99 | HSF1 (0.50) | HSF1CYP2D6TSHRHIF1AABCB1 | |
| Hydrochloric Acid SCHEMBL5017212 | 0.99 | HSF1 (0.50) | HSF1CYP2D6TSHRHIF1AABCB1 | |
| SCHEMBL6009203 | 0.87 | HSF1 (0.65) | HSF1CYP2D6TSHRHIF1AABCB1 | |
| SCHEMBL6009202 | 0.87 | HSF1 (0.65) | HSF1CYP2D6TSHRHIF1AABCB1 | |
| Hydrochloric Acid SCHEMBL3076170 | 0.86 | HSF1 (0.64) | HSF1CYP2D6TSHRHIF1AABCB1 | |
| Hydrochloric Acid SCHEMBL3076169 | 0.86 | HSF1 (0.64) | HSF1CYP2D6TSHRHIF1AABCB1 | |
| Hydrochloric Acid SCHEMBL9327628 | 0.75 | CYP2D6 (0.43) | CYP2D6TSHRHIF1AABCB1KDM4E | |
| SCHEMBL21091547 | 0.75 | HSF1 (0.53) | HSF1CYP2D6TSHRHIF1AABCB1 | |
| SCHEMBL25846567 | 0.75 | HSF1 (0.53) | HSF1CYP2D6TSHRHIF1AABCB1 |
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-7361655-B2 | Pharmaceutically effective compounds | CYTRX CORPORATION (US) | 2008-04-22 | — | — | US | disclosed |