Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.69 |
| ▸ | LMNA | P02545 | 5/20 | 0.69 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.69 |
| ▸ | HPGD | P15428 | 3/20 | 0.69 |
| ▸ | USP2 | O75604 | 2/20 | 0.69 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.69 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.69 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.43 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11544970 | 0.87 | ALDH1A1 (0.74) | ALDH1A1LMNAKDM4EHPGDUSP2 | |
| SCHEMBL14879729 | 0.85 | KDM4E (0.77) | ALDH1A1LMNAKDM4EHPGDUSP2 | |
| SCHEMBL2741891 | 0.83 | KDM4E (0.98) | ALDH1A1LMNAKDM4EHPGDUSP2 | |
| SCHEMBL11544834 | 0.82 | KDM4E (0.79) | ALDH1A1LMNAKDM4EHPGDUSP2 | |
| Piretanide SCHEMBL30230376 | 0.82 | KDM4E (1.00) | ALDH1A1LMNAKDM4EHPGDUSP2 | |
| Piretanide SCHEMBL49473 | 0.82 | KDM4E (1.00) | ALDH1A1LMNAKDM4EHPGDUSP2 | |
| Piretanide SCHEMBL1741994 | 0.82 | KDM4E (1.00) | ALDH1A1LMNAKDM4EHPGDUSP2 | |
| SCHEMBL11541860 | 0.81 | LMNA (0.74) | ALDH1A1LMNAKDM4EHPGDUSP2 | |
| Piretanide SCHEMBL20696104 | 0.81 | KDM4E (0.76) | ALDH1A1LMNAKDM4EHPGDUSP2 | |
| Piretanide SCHEMBL250849 | 0.81 | KDM4E (0.84) | ALDH1A1LMNAKDM4EHPGDUSP2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013059648-A1 | 2,3,5 TRISUBSTITUTED ARYL AND HETEROARYL AMINO DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2013-04-25 | — | — | WO | disclosed |
| WO-2013059648-A1 | 2,3,5 TRISUBSTITUTED ARYL AND HETEROARYL AMINO DERIVATIVES, COMPOSITIONS, AND METHODS OF USE | NEUROTHERAPEUTICS PHARMA, INC. (US) | 2013-04-25 | — | — | WO | disclosed |