Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.60 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | MAOB | P27338 | 3/20 | 0.53 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.53 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.53 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.53 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.53 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | THPO | P40225 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10759485 | 1.00 | GSK3B (0.60) | GSK3BPTGS2CYP1A2MAOBAKR1B10 | |
| SCHEMBL17691540 | 0.88 | CYP1A2 (0.69) | GSK3BPTGS2CYP1A2MAOBAKR1B10 | |
| SCHEMBL9297329 | 0.87 | KDM4E (0.53) | GSK3BPTGS2CYP1A2MAOBAKR1B10 | |
| SCHEMBL16865336 | 0.87 | KDM4E (0.53) | GSK3BPTGS2CYP1A2MAOBAKR1B10 | |
| SCHEMBL3763704 | 0.85 | GSK3B (0.58) | GSK3BPTGS2CYP1A2MAOBAKR1B10 | |
| SCHEMBL3763701 | 0.85 | GSK3B (0.58) | GSK3BPTGS2CYP1A2MAOBAKR1B10 | |
| SCHEMBL8467852 | 0.85 | AKR1B1 (0.76) | GSK3BPTGS2MAOBAKR1B10AKR1B1 | |
| SCHEMBL11778837 | 0.83 | GSK3B (0.87) | GSK3BCYP1A2NFE2L2CYP2C19CYP3A4 | |
| SCHEMBL10348533 | 0.83 | HAO1 (0.66) | GSK3BPTGS2CYP1A2MAOBAKR1B10 | |
| SCHEMBL10351280 | 0.83 | CYP1A2 (0.63) | GSK3BPTGS2CYP1A2MAOBAKR1B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-4698352-A | 4-oxo-1,4-dihydronicotinic acid derivatives, salts thereof, and antibacterial agents containing the same | TOYAMA CHEMICAL CO., LTD. (JP) | 1987-10-06 | — | — | US | disclosed |
| US-4549022-A | ANTIBACTERIAL AGENT; STIMULANT ON CENTRAL NERVOUS SYSTEM | HOFFMANN-LA ROCHE INC. (US) | 1985-10-22 | — | — | US | disclosed |
| US-4521535-A | ANTIBACTERIAL AGENTS; STIMULANTS FOR CENTRAL NERVOUS SYSTEM | HOFFMANN-LA ROCHE INC. (US) | 1985-06-04 | — | — | US | disclosed |
| EP-0003144-B1 | 4-PYRIDONE-3-CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THEIR PREPARATION, THEIR APPLICATION | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1981-08-05 | — | — | EP | disclosed |
| EP-0003144-A2 | 4-Pyridone-3-carboxylic acid derivatives, pharmaceutical compositions containing them, processes for their preparation, their application | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1979-07-25 | — | — | EP | disclosed |