Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.34 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 2/20 | 0.33 |
| ▸ | PTPRB | P23467 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11519192 | 0.84 | HMGB1 (0.46) | ALDH1A1NPC1HSP90AB1HMGB1CXCL12 | |
| SCHEMBL5194940 | 0.80 | GPR84 (0.37) | ALDH1A1HPGDLMNAGSK3BHSP90AB1 | |
| SCHEMBL1258850 | 0.79 | AKR1B1 (0.46) | ALDH1A1HPGDLMNASMN1; SMN2TSHR | |
| SCHEMBL10864964 | 0.79 | POLB (0.38) | ALDH1A1HPGDLMNAHSP90AB1HMGB1 | |
| SCHEMBL2529212 | 0.79 | TPMT (0.41) | ALDH1A1GSK3BCNR1KDM4E | |
| SCHEMBL1258849 | 0.79 | HSP90AB1 (0.38) | ALDH1A1HPGDLMNASMN1; SMN2NPC1 | |
| SCHEMBL2530254 | 0.78 | ALDH1A1 (0.46) | ALDH1A1LMNACNR1MAPTL3MBTL1 | |
| SCHEMBL4685031 | 0.77 | HSP90AB1 (0.36) | ALDH1A1HPGDLMNASMN1; SMN2NPC1 | |
| SCHEMBL9780671 | 0.77 | PGK1 (0.38) | ALDH1A1HPGDLMNASMN1; SMN2NPC1 | |
| SCHEMBL4685033 | 0.77 | HTT (0.45) | ALDH1A1LMNAHSP90AB1TSHRCNR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001070228-A1 | ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE | MERCK & CO., INC. (US) | 2001-09-27 | — | — | WO | disclosed |