Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | VDR | P11473 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL18896181 | 0.87 | ALDH1A1 (0.43) | ESR1MAOBALDH1A1KDM4EHTT | |
| SCHEMBL18896190 | 0.82 | ALDH1A1 (0.44) | ESR1ALDH1A1KDM4EHTTLMNA | |
| SCHEMBL24313766 | 0.79 | TAS1R3 (0.47) | ESR1ALDH1A1KDM4EHTTMEN1 | |
| SCHEMBL18896127 | 0.78 | ALDH1A1 (0.52) | MAOBALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL18713512 | 0.78 | PDE2A (0.39) | ALDH1A1LMNATP53MAPTALOX12 | |
| SCHEMBL15004559 | 0.77 | SMN1; SMN2 (0.49) | ESR1ALDH1A1KDM4EHTTKMT2A | |
| SCHEMBL21467407 | 0.77 | ESR1 (0.43) | ESR1MAOBKDM4EAPPHSP90AA1 | |
| SCHEMBL9963706 | 0.74 | ALDH1A1 (0.49) | ALDH1A1HTTLMNATP53MAPT | |
| SCHEMBL16379411 | 0.73 | ALDH1A1 (0.40) | ALDH1A1MEN1KMT2ATDP1LMNA | |
| SCHEMBL18896200 | 0.72 | APP (0.38) | MAOBALDH1A1HTTTDP1APP |
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-9663466-B2 | Aryl dihydropyridinones and piperidinone MGAT2 inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-05-30 | — | — | US | disclosed |