Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 3/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL3846622 | 0.81 | ALPL (0.35) | ALDH1A1IDO1NPC1ALPLKDM4E | |
| SCHEMBL27660921 | 0.79 | IDO1 (0.38) | IDO1NPC1ALPLPARP1PARP10 | |
| SCHEMBL100881 | 0.79 | IDO1 (0.49) | ALDH1A1IDO1NPC1MEN1USP2 | |
| SCHEMBL13963717 | 0.79 | NISCH (0.45) | CCNE1CDK2IDO1NPC1ALPL | |
| SCHEMBL9038568 | 0.79 | GPR35 (0.50) | ALDH1A1IDO1KDM4EGAAHSD17B10 | |
| SCHEMBL14400038 | 0.79 | IDO1 (0.58) | ALDH1A1CDK2IDO1KDM4EHSD17B10 | |
| SCHEMBL988594 | 0.78 | ALPL (0.48) | IDO1NPC1ALPLCYP1A2CYP3A4 | |
| SCHEMBL30341309 | 0.76 | FYN (0.34) | — | |
| SCHEMBL7157001 | 0.76 | CCNT1 (0.37) | CDK2KEAP1ALPLPARP1 | |
| SCHEMBL22684363 | 0.75 | ALOX5AP (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5387585-A | Treating epilepsy, anxiety, sleep disorders, schizophrnia, senile dementia | HOFFMANN-LA ROCHE INC. (US) | 1995-02-07 | — | — | US | disclosed |
| EP-0519307-A2 | Tetracyclic Imidazodiazepines | F. HOFFMANN-LA ROCHE AG (CH) | 1992-12-23 | — | — | EP | disclosed |