Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL7142006 | 0.99 | CYP2C19 (0.43) | CYP2C19CYP2C9GAAXDHALDH1A1 | |
| Hydrochloric Acid SCHEMBL7291893 | 0.99 | CYP2C19 (0.43) | CYP2C19CYP2C9GAAXDHALDH1A1 | |
| SCHEMBL7318796 | 0.92 | ALDH1A1 (0.51) | CYP2C19CYP2C9XDHALDH1A1LMNA | |
| Bromide SCHEMBL9747692 | 0.90 | ALDH1A1 (0.50) | CYP2C19CYP2C9XDHALDH1A1LMNA | |
| SCHEMBL10924999 | 0.87 | CYP2C19 (0.45) | CYP2C19CYP2C9GAAXDHALDH1A1 | |
| SCHEMBL3785984 | 0.85 | GAA (0.47) | CYP2C19CYP2C9GAAXDHALDH1A1 | |
| SCHEMBL3618682 | 0.79 | CYP2C9 (0.39) | CYP2C19CYP2C9GAAXDHALDH1A1 | |
| SCHEMBL8804527 | 0.78 | ALDH1A1 (0.52) | CYP2C19CYP2C9XDHALDH1A1LMNA | |
| SCHEMBL7318656 | 0.77 | ALDH1A1 (0.51) | CYP2C19CYP2C9GAAXDHALDH1A1 | |
| SCHEMBL16561279 | 0.73 | ALDH1A1 (0.50) | CYP2C19CYP2C9GAAXDHALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0070053-B1 | NOVEL BICYCLIC PYRIMIDIN-5-ONE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-04-16 | — | — | EP | disclosed |
| US-4548938-A | PSYCHOTROPIC AGENTS | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-10-22 | — | — | US | disclosed |
| US-4529727-A | Pyrimido[2,1-b][1,3]-thiazines | JANSSEN PHARMACEUTICAL, N.V. (BE) | 1985-07-16 | — | — | US | disclosed |
| US-4443451-A | PSYCHOTROPIC, ANTIHISTAMINES, ANTISEROTONINE | JANSSEN PHARMACEUTICA N.V. (BE) | 1984-04-17 | — | — | US | disclosed |
| EP-0070053-A2 | Novel bicyclic pyrimidin-5-one derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1983-01-19 | — | — | EP | disclosed |