Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.72 |
| ▸ | POLB | P06746 | 2/20 | 0.66 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.65 |
| ▸ | HPGD | P15428 | 2/20 | 0.65 |
| ▸ | NPC1 | O15118 | 1/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | RAB9A | P51151 | 1/20 | 0.65 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4389396 | 0.96 | ALDH1A1 (0.78) | ALDH1A1POLBL3MBTL1KDM4EHPGD | |
| SCHEMBL16187787 | 0.96 | ALDH1A1 (0.78) | ALDH1A1POLBL3MBTL1KDM4EHPGD | |
| SCHEMBL27988767 | 0.81 | ALDH1A1 (0.57) | ALDH1A1POLBL3MBTL1KDM4EHPGD | |
| SCHEMBL6264679 | 0.77 | CA1 (0.48) | ALDH1A1POLBL3MBTL1KDM4EHPGD | |
| SCHEMBL5593714 | 0.74 | ALDH1A1 (0.57) | ALDH1A1POLBL3MBTL1KDM4EHPGD | |
| SCHEMBL30735725 | 0.73 | CA1 (0.48) | ALDH1A1POLBL3MBTL1KDM4EHPGD | |
| SCHEMBL3022611 | 0.72 | ALDH1A1 (0.52) | ALDH1A1POLBL3MBTL1KDM4EHPGD | |
| SCHEMBL11836972 | 0.72 | MCL1 (0.54) | ALDH1A1POLBL3MBTL1KDM4EHPGD | |
| SCHEMBL29182250 | 0.72 | ALDH1A1 (0.56) | ALDH1A1POLBL3MBTL1KDM4EHPGD | |
| SCHEMBL28789732 | 0.72 | MAPT (0.68) | ALDH1A1POLBL3MBTL1KDM4EHPGD |
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-2013096820-A1 | ANTI-CANCER COMPOUNDS TARGETING RAL GTPASES AND METHODS OF USING THE SAME | THE REGENTS OF THE UNIVERSITY OF COLORADO (US) | 2013-06-27 | — | — | WO | disclosed |