Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SLC5A1 | P13866 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6771042 | 0.87 | ALDH1A1 (0.44) | ALDH1A1LMNASLC5A1RAB9AHTT | |
| SCHEMBL6766574 | 0.87 | ALDH1A1 (0.39) | ALDH1A1LMNASLC5A1USP2SMN1; SMN2 | |
| SCHEMBL6164477 | 0.85 | ABCG2 (0.43) | ALDH1A1LMNAHPGDHTTKMT2A | |
| SCHEMBL6772063 | 0.84 | OPRM1 (0.48) | SMN1; SMN2RAB9AHTTKMT2ANPSR1 | |
| SCHEMBL6777584 | 0.83 | ALDH1A1 (0.53) | ALDH1A1LMNAUSP2SMN1; SMN2RAB9A | |
| SCHEMBL6772144 | 0.81 | RIPK2 (0.36) | SLC5A1SMN1; SMN2RAB9AHPGDHTT | |
| SCHEMBL6772323 | 0.81 | GPBAR1 (0.41) | ALDH1A1LMNASMN1; SMN2RAB9AHPGD | |
| SCHEMBL6770581 | 0.81 | ALDH1A1 (0.62) | ALDH1A1LMNAKMT2ATP53NPSR1 | |
| SCHEMBL6775862 | 0.81 | ABCG2 (0.39) | ALDH1A1LMNASMN1; SMN2RAB9AHPGD | |
| SCHEMBL6766708 | 0.81 | RIPK2 (0.48) | ALDH1A1LMNASMN1; SMN2RAB9AHPGD |
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-6716856-B1 | CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY | PHARMACIA & TUBJOHN SPA (IT) | 2004-04-06 | — | — | US | disclosed |