Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | ANPEP | P15144 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21358038 | 0.89 | ESR1 (0.32) | — | |
| SCHEMBL26098992 | 0.89 | ESR1 (0.32) | — | |
| SCHEMBL21367006 | 0.85 | PTPN1 (0.34) | GAAMAPTNPSR1ALDH1A1KDM4E | |
| SCHEMBL21367005 | 0.85 | PTPN1 (0.34) | GAAMAPTNPSR1ALDH1A1KDM4E | |
| SCHEMBL22968909 | 0.85 | PTPN1 (0.34) | GAAMAPTNPSR1ALDH1A1KDM4E | |
| SCHEMBL21360137 | 0.83 | — | — | |
| SCHEMBL21360136 | 0.83 | — | — | |
| SCHEMBL21358226 | 0.82 | RAB9A (0.34) | GAAMAPTNPSR1ALDH1A1KDM4E | |
| SCHEMBL21359831 | 0.82 | ELANE (0.43) | MAPTALDH1A1SMN1; SMN2ELANETSHR | |
| SCHEMBL22968905 | 0.82 | ELANE (0.43) | MAPTALDH1A1SMN1; SMN2ELANETSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-3765006-A1 | ARGINASE INHIBITORS AND METHODS OF USE | Merck Sharp&Dohme Corp. (US) | 2021-01-20 | — | — | EP | disclosed |
| WO-2019177873-A1 | ARGINASE INHIBITORS AND METHODS OF USE | MERCK SHARP & DOHME CORP. (US) | 2019-09-19 | — | — | WO | disclosed |