Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 4/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PDE1A | P54750 | 1/20 | 0.37 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.37 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL6169577 | 0.81 | ALOX5AP (0.47) | HRH1ALDH1A2ALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL7672912 | 0.81 | ALDH1A2 (0.45) | ALDH1A2ALDH1A1ALDH2ALDH3A1ALDH1A3 | |
| Hydrochloric Acid SCHEMBL6168624 | 0.80 | ALDH1A2 (0.45) | ALDH1A2ALDH1A1ALDH2ALDH3A1ALDH1A3 | |
| SCHEMBL7675357 | 0.80 | JAK2 (0.51) | ALDH1A2ALDH1A1ALDH2ALDH3A1ALDH1A3 | |
| SCHEMBL6170906 | 0.78 | PKM (0.46) | HRH1ALDH1A2ALDH1A1ALDH2ALDH3A1 | |
| SCHEMBL7673764 | 0.76 | PDE2A (0.51) | CYP2D6ALDH1A1PPARGMCHR1ALOX5AP | |
| SCHEMBL6172347 | 0.73 | RAB9A (0.45) | ALDH1A1PPARGTNFTP53PKM | |
| SCHEMBL6170082 | 0.73 | PDE2A (0.49) | CYP2D6ALDH1A1ALOX5APCYP3A4TNF | |
| SCHEMBL6168534 | 0.72 | PDE2A (0.53) | ALDH1A1TP53PKM | |
| SCHEMBL6168474 | 0.72 | ALOX5AP (0.47) | KCNH2ALDH1A1MCHR1ALOX5APTNF |
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-6348032-B1 | POTENT COMPOUNDS THAT INDUCE APOPTOSIS IN NEOPLASTIC CELLS (BUT NOT SUBSTANTIALLY IN NORMAL CELLS), WITHOUT SUBSTANTIALLY INHIBITING PGE-2. | CELL PATHWAYS, INC. | 2002-02-19 | — | — | US | disclosed |