Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | TDO2 | P48775 | 2/20 | 0.45 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | LPL | P06858 | 1/20 | 0.42 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL23956204 | 0.92 | LIPG (0.41) | IDO1TDO2DGAT1SMN1; SMN2NPC1 | |
| SCHEMBL18015456 | 0.83 | LPL (0.46) | IDO1TDO2DGAT1SMN1; SMN2NPC1 | |
| SCHEMBL18015448 | 0.82 | LDHA (0.47) | IDO1TDO2DGAT1SMN1; SMN2NPC1 | |
| SCHEMBL21290169 | 0.79 | NPC1 (0.52) | IDO1TDO2DGAT1SMN1; SMN2NPC1 | |
| SCHEMBL21290171 | 0.79 | TOP1 (0.46) | TDO2DGAT1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL21290170 | 0.78 | ALDH1A1 (0.41) | IDO1TDO2DGAT1SMN1; SMN2NPC1 | |
| SCHEMBL31642363 | 0.77 | EGFR (0.42) | DGAT1LPLLIPGEGFR | |
| SCHEMBL31672743 | 0.77 | EGFR (0.44) | DGAT1SMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL21290090 | 0.77 | DGAT1 (0.46) | IDO1TDO2DGAT1SMN1; SMN2NPC1 | |
| SCHEMBL20532210 | 0.76 | LPL (0.42) | DGAT1SMN1; SMN2NPC1RAB9AMAPT |
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 |