Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10995248 | 0.95 | CYP1A2 (0.47) | CYP1A2MAPTTP53CYP3A4CYP2D6 | |
| SCHEMBL10995247 | 0.95 | CYP1A2 (0.47) | CYP1A2MAPTTP53CYP3A4CYP2D6 | |
| SCHEMBL10991729 | 0.81 | NOS2 (0.45) | CYP1A2MAPTTP53CYP3A4CYP2D6 | |
| SCHEMBL10991725 | 0.81 | NOS2 (0.45) | CYP1A2MAPTTP53CYP3A4CYP2D6 | |
| SCHEMBL7077101 | 0.79 | CYP1A2 (0.58) | CYP1A2MAPTTP53CYP3A4CYP2D6 | |
| SCHEMBL7077102 | 0.79 | CYP1A2 (0.58) | CYP1A2MAPTTP53CYP3A4CYP2D6 | |
| SCHEMBL10995524 | 0.77 | ALDH1A1 (0.51) | CYP1A2MAPTTP53CYP3A4CYP2D6 | |
| SCHEMBL10995520 | 0.77 | ALDH1A1 (0.51) | CYP1A2MAPTTP53CYP3A4CYP2D6 | |
| SCHEMBL10759095 | 0.77 | NOS2 (0.46) | MAPTTP53CYP3A4CYP2D6PKM | |
| Anisaldehyde SCHEMBL11550224 | 0.72 | TRPM8 (0.48) | CYP3A4NFKB1NPC1ALDH1A1RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |