Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | SQSTM1 | Q13501 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 7/20 | 0.38 |
| ▸ | HTT | P42858 | 6/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4244176 | 0.99 | PKM (0.39) | PKMSQSTM1KEAP1NFE2L2MAPT | |
| SCHEMBL1029498 | 0.89 | KIT (0.41) | PKMSQSTM1KEAP1NFE2L2MAPT | |
| SCHEMBL1030310 | 0.89 | TSHR (0.41) | PKMSQSTM1KEAP1NFE2L2MAPT | |
| Hydrochloric Acid SCHEMBL4243947 | 0.89 | KIT (0.41) | PKMSQSTM1KEAP1NFE2L2MAPT | |
| SCHEMBL1033689 | 0.88 | PKM (0.43) | PKMSQSTM1KEAP1NFE2L2MAPT | |
| Hydrochloric Acid SCHEMBL4246986 | 0.88 | TSHR (0.40) | PKMSQSTM1KEAP1NFE2L2MAPT | |
| Hydrochloric Acid SCHEMBL4251154 | 0.87 | PKM (0.42) | PKMSQSTM1KEAP1NFE2L2MAPT | |
| SCHEMBL1033616 | 0.86 | PKM (0.39) | PKMSQSTM1KEAP1NFE2L2MAPT | |
| Hydrochloric Acid SCHEMBL4240512 | 0.86 | PKM (0.39) | PKMSQSTM1KEAP1NFE2L2MAPT | |
| SCHEMBL1031574 | 0.85 | CCR9 (0.44) | PKMSQSTM1KEAP1NFE2L2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2013179-B1 | ARYLOXYETHYLAMINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | ABBOTT GMBH & CO KG (DE) | 2011-01-19 | — | — | EP | disclosed |