Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | ADCY8 | P40145 | 1/20 | 0.36 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9770620 | 0.99 | KDM2B (0.39) | KDM2BALDH1A1HPGDTP53CES2 | |
| SCHEMBL9770661 | 0.86 | SIRT1 (0.41) | ALDH1A1HPGDTP53CES2CES1 | |
| Hydrochloric Acid SCHEMBL9770462 | 0.85 | MEN1 (0.41) | ALDH1A1HPGDTP53CES2CES1 | |
| SCHEMBL9770522 | 0.82 | HDAC1 (0.44) | KDM2BALDH1A1HPGDTP53CES2 | |
| SCHEMBL11524267 | 0.77 | BDKRB1 (0.39) | ALDH1A1HTTKMT2AMAPTMEN1 | |
| Isotiquimide SCHEMBL634768 | 0.73 | SIRT1 (0.35) | MAPTSIRT1L3MBTL1 | |
| SCHEMBL17222061 | 0.73 | HTR2A (0.36) | SIRT1GAA | |
| SCHEMBL8784135 | 0.70 | UGT2B17 (0.42) | — | |
| SCHEMBL30640696 | 0.70 | UGT2B17 (0.42) | — | |
| SCHEMBL10743146 | 0.68 | SIRT1 (0.33) | SIRT1 |
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-5001131-A | Pyridine derivatives | JOHN WYETH & BROTHER LIMITED (GB) | 1991-03-19 | — | — | US | disclosed |