Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | APLNR | P35414 | 2/20 | 0.31 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.30 |
| ▸ | CDK4 | P11802 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9682115 | 0.90 | HCAR2 (0.33) | HCAR2ALDH1A1MEN1HPGDKMT2A | |
| SCHEMBL9601892 | 0.82 | ALDH1A1 (0.36) | HCAR2ALDH1A1MEN1HPGDKMT2A | |
| SCHEMBL9449331 | 0.81 | MAPT (0.44) | HCAR2CDK5CDK5R1NPC1CYP1A2 | |
| SCHEMBL9682778 | 0.80 | HCAR2 (0.36) | HCAR2CDK5CDK5R1 | |
| SCHEMBL9682775 | 0.80 | HCAR2 (0.36) | HCAR2CDK5CDK5R1 | |
| SCHEMBL9280809 | 0.79 | ALDH1A1 (0.38) | ALDH1A1MEN1HPGDKMT2AGLA | |
| SCHEMBL9283236 | 0.75 | ALDH1A1 (0.41) | HCAR2ALDH1A1MEN1HPGDKMT2A | |
| SCHEMBL9680279 | 0.74 | TSHR (0.41) | HCAR2ALDH1A1HPGDCDK5CDK5R1 | |
| SCHEMBL9680858 | 0.72 | ALDH1A1 (0.32) | HCAR2ALDH1A1MEN1HPGDKMT2A | |
| SCHEMBL9284917 | 0.70 | ALDH1A1 (0.35) | ALDH1A1MEN1HPGDKMT2AGLA |
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-0481802-A1 | Hydroxylated inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1992-04-22 | — | — | EP | disclosed |