Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.33 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4133937 | 0.77 | SMN1; SMN2 (0.38) | ALDH1A1LMNACYP3A4 | |
| SCHEMBL15760064 | 0.76 | TYR (0.48) | ALDH1A1LMNACYP3A4KDM4EHSD17B10 | |
| SCHEMBL4145610 | 0.70 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1 | |
| SCHEMBL2767112 | 0.69 | ALDH1A1 (0.32) | ALDH1A1LMNAKDM4EHSD17B10 | |
| SCHEMBL9217296 | 0.68 | — | — | |
| SCHEMBL16597201 | 0.67 | CA5A (0.43) | ALDH1A1CA5ALMNACYP3A4KDM4E | |
| SCHEMBL6230701 | 0.67 | ALDH1A1 (0.50) | ALDH1A1LMNACYP3A4KDM4EHSD17B10 | |
| SCHEMBL4674699 | 0.67 | BAZ2B (0.53) | ALDH1A1LMNASMYD3KDM4EHSD17B10 | |
| SCHEMBL7110777 | 0.66 | ALDH1A1 (0.64) | ALDH1A1LMNACYP3A4KDM4EHSD17B10 | |
| Hydrochloric Acid SCHEMBL6425283 | 0.66 | ALDH1A1 (0.48) | ALDH1A1LMNACYP3A4KDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0651750-A1 | TETRACYCLIC COMPOUNDS PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOUR AGENTS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-05-10 | — | — | EP | disclosed |