Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.76 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.76 |
| ▸ | MEN1 | O00255 | 1/20 | 0.76 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.76 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.76 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.76 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.76 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.61 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | BLM | P54132 | 1/20 | 0.61 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.57 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.57 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.57 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.57 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.57 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.57 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.57 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL9542194 | 0.89 | CYP1A2 (0.62) | CYP1A2KDM4EMEN1CYP2D6CYP2C19 | |
| SCHEMBL8924042 | 0.86 | CA1 (0.66) | CYP1A2KDM4EMEN1CYP2D6CYP2C19 | |
| SCHEMBL29457697 | 0.86 | CYP1A2 (1.00) | CYP1A2KDM4EMEN1CYP2D6CYP2C19 | |
| SCHEMBL1998890 | 0.86 | CYP1A2 (1.00) | CYP1A2KDM4EMEN1CYP2D6CYP2C19 | |
| SCHEMBL29580184 | 0.86 | CYP1A2 (1.00) | CYP1A2KDM4EMEN1CYP2D6CYP2C19 | |
| SCHEMBL8924229 | 0.80 | CYP1A2 (0.69) | CYP1A2KDM4EMEN1CYP2D6CYP2C19 | |
| SCHEMBL4253014 | 0.79 | CYP1A2 (0.72) | CYP1A2KDM4EMEN1CYP2D6CYP2C19 | |
| SCHEMBL8923710 | 0.79 | CYP1A2 (0.65) | CYP1A2KDM4EMEN1CYP2D6CYP2C19 | |
| SCHEMBL8783900 | 0.78 | CYP1A2 (0.84) | CYP1A2KDM4EMEN1CYP2D6CYP2C19 | |
| SCHEMBL8784175 | 0.78 | CYP1A2 (0.84) | CYP1A2KDM4EMEN1CYP2D6CYP2C19 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993011115-A2 | QUINOLONE DERIVATIVES AND THEIR USE AS NMDA AND AMPA RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1993-06-10 | — | — | WO | claimed |
| US-5614532-A | NERVOUS SYSTEM DISORDERS USING N-METHYLASPARTATE ANTAGONIST | MERCK, SHARP & DOHME LTD. (GB) | 1997-03-25 | — | — | US | disclosed |
| EP-0620812-A1 | QUINOLONE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1994-10-26 | — | — | EP | disclosed |
| WO-1993011115-A2 | QUINOLONE DERIVATIVES AND THEIR USE AS NMDA AND AMPA RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1993-06-10 | — | — | WO | disclosed |