Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 14/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5699238 | 0.88 | ABCB1 (0.44) | ABCB1MAPK1SMN1; SMN2TSHRCYP2D6 | |
| SCHEMBL5699325 | 0.88 | ABCB1 (0.44) | ABCB1MAPK1SMN1; SMN2TSHRCYP2D6 | |
| SCHEMBL5699270 | 0.88 | ABCB1 (0.44) | ABCB1MAPK1SMN1; SMN2TSHRCYP2D6 | |
| Hydrochloric Acid SCHEMBL5699250 | 0.87 | CYP2D6 (0.43) | ABCB1MAPK1ALDH1A1SMN1; SMN2TSHR | |
| Hydrochloric Acid SCHEMBL3559483 | 0.87 | CYP2D6 (0.43) | ABCB1MAPK1ALDH1A1SMN1; SMN2TSHR | |
| Maleic Acid SCHEMBL5699236 | 0.87 | ABCB1 (0.45) | ABCB1MAPK1ALDH1A1LMNAMAPT | |
| Arimoclomol SCHEMBL5699321 | 0.81 | HSF1 (0.47) | ABCB1MAPK1MEN1KMT2A | |
| SCHEMBL3572645 | 0.81 | ABCB1 (0.47) | ABCB1MAPK1TSHRCYP2D6HIF1A | |
| Hydrochloric Acid SCHEMBL28996182 | 0.80 | ABCB1 (0.47) | ABCB1MAPK1ALDH1A1MEN1KMT2A | |
| SCHEMBL5698929 | 0.78 | ABCB1 (0.57) | ABCB1MAPK1SMN1; SMN2TSHRCYP2D6 |
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-7126002-B2 | Pyridine-1-oxide derivative, and process for its transformation into pharmaceutically effective compounds | CYTRX CORPORATION (US) | 2006-10-24 | — | — | US | disclosed |