Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HRH2 | P25021 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
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 SCHEMBL9770462 | 0.99 | MEN1 (0.41) | SIRT1MEN1KMT2ACYP2D6SMN1; SMN2 | |
| SCHEMBL9770502 | 0.86 | KDM2B (0.39) | SIRT1MEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL11524267 | 0.79 | BDKRB1 (0.39) | SIRT1MEN1KMT2ALMNAMAPT | |
| Isotiquimide SCHEMBL634768 | 0.75 | SIRT1 (0.35) | SIRT1MAPTRECQLSIRT2HRH2 | |
| SCHEMBL17222061 | 0.75 | HTR2A (0.36) | SIRT1 | |
| SCHEMBL30640696 | 0.72 | UGT2B17 (0.42) | HRH2HRH3 | |
| SCHEMBL8784135 | 0.72 | UGT2B17 (0.42) | HRH2HRH3 | |
| SCHEMBL10743146 | 0.69 | SIRT1 (0.33) | SIRT1RECQLSIRT2USP2HSD17B10 | |
| SCHEMBL11522206 | 0.69 | HTR2A (0.35) | HRH2HRH3 | |
| SCHEMBL11850205 | 0.69 | ADRA1A (0.37) | HRH2HRH3 |
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 |