Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 6/20 | 0.39 |
| ▸ | HTT | P42858 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | SQSTM1 | Q13501 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 3/20 | 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 SCHEMBL4250907 | 0.99 | PKM (0.40) | PKMLMNAHTTTSHRSMN1; SMN2 | |
| SCHEMBL1031369 | 0.86 | FFAR4 (0.48) | PKMLMNAHTTTSHRSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4245551 | 0.85 | FFAR4 (0.47) | PKMLMNAHTTTSHRSMN1; SMN2 | |
| SCHEMBL1032212 | 0.85 | PKM (0.35) | PKMLMNAHTTTSHRSMN1; SMN2 | |
| SCHEMBL1031181 | 0.84 | PIK3C3 (0.41) | PKMLMNAHTTTSHRSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4242108 | 0.84 | PKM (0.34) | PKMLMNAHTTTSHRSMN1; SMN2 | |
| SCHEMBL1033640 | 0.84 | PKM (0.39) | PKMLMNAHTTTSHRSMN1; SMN2 | |
| SCHEMBL1031521 | 0.84 | PKM (0.35) | PKMLMNAHTTTSHRSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4243272 | 0.83 | PIK3C3 (0.40) | PKMLMNAHTTTSHRSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL4244176 | 0.83 | PKM (0.39) | PKMLMNAHTTTSHRSMN1; SMN2 |
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 |