Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | ERN1 | O75460 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GSTO1 | P78417 | 4/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KCNJ6 | P48051 | 1/20 | 0.32 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.32 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8576406 | 0.86 | MCL1 (0.43) | ALDH1A1MCL1KMT2AGSTO1KCNJ6 | |
| SCHEMBL8575183 | 0.85 | CA2 (0.44) | ALDH1A1ERN1CDK1POLBRAB9A | |
| SCHEMBL8574456 | 0.83 | GSTO1 (0.40) | L3MBTL1ALDH1A1TSHRCDK1MCL1 | |
| SCHEMBL8578752 | 0.74 | TSHR (0.39) | L3MBTL1ALDH1A1TSHRMCL1KMT2A | |
| SCHEMBL8574760 | 0.73 | CDK1 (0.39) | ALDH1A1TSHRCDK1KMT2ACA1 | |
| SCHEMBL8572740 | 0.72 | GSTO1 (0.42) | L3MBTL1ALDH1A1TSHRMCL1KMT2A | |
| SCHEMBL8576755 | 0.71 | TSHR (0.36) | L3MBTL1ALDH1A1TSHRMCL1KCNJ6 | |
| SCHEMBL8582974 | 0.70 | CDK1 (0.38) | ALDH1A1CDK1CA1CA2CA5A | |
| SCHEMBL6262809 | 0.70 | L3MBTL1 (0.40) | L3MBTL1ALDH1A1TSHRCDK1MCL1 | |
| SCHEMBL8573646 | 0.69 | CA2 (0.48) | ALDH1A1CDK1CA1CA2CA5A |
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-5849796-A | Ortho-substituted benzoil acid derivatives | MERCK PATENT GELSELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-12-15 | — | — | US | disclosed |