Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACA | Q13085 | 3/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | DHODH | Q02127 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL21289974 | 0.83 | ACACA (0.48) | ACACASMN1; SMN2HPGDLMNADHODH | |
| SCHEMBL31707366 | 0.83 | ACACA (1.00) | ACACASMN1; SMN2HPGDLMNADHODH | |
| SCHEMBL16294371 | 0.83 | ACACA (1.00) | ACACASMN1; SMN2HPGDLMNADHODH | |
| SCHEMBL23956222 | 0.82 | NPC1 (0.67) | ACACASMN1; SMN2HPGDLMNAALDH1A1 | |
| SCHEMBL21289971 | 0.81 | L3MBTL1 (0.66) | ACACASMN1; SMN2LMNAALDH1A1KDM4E | |
| SCHEMBL21290389 | 0.80 | ACACA (0.78) | ACACASMN1; SMN2HPGDLMNADHODH | |
| SCHEMBL27909471 | 0.78 | ALDH1A1 (0.53) | ACACASMN1; SMN2HPGDLMNAALDH1A1 | |
| SCHEMBL23956199 | 0.77 | ACACA (0.58) | ACACASMN1; SMN2HPGDLMNADHODH | |
| SCHEMBL21290393 | 0.76 | ERN1 (0.46) | SMN1; SMN2HPGDALDH1A1KDM4EHTT | |
| SCHEMBL21290150 | 0.75 | NPC1 (0.56) | SMN1; SMN2ALDH1A1KDM4EMAPTNPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3752512-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2023-03-01 | — | — | EP | disclosed |
| EP-3601304-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2021-10-27 | — | — | EP | disclosed |
| WO-2019158453-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-08-22 | — | — | WO | disclosed |