Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8925056 | 1.00 | CYP1A2 (0.49) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL8924346 | 0.90 | CYP1A2 (0.47) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL8923364 | 0.88 | CYP1A2 (0.52) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL8923409 | 0.85 | CYP1A2 (0.54) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL8923450 | 0.84 | ALDH1A1 (0.56) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL8925770 | 0.84 | CYP1A2 (0.52) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL8923387 | 0.83 | CYP1A2 (0.49) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL8923696 | 0.81 | ALDH1A1 (0.48) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL8924351 | 0.80 | CYP1A2 (0.46) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL8924345 | 0.79 | CYP1A2 (0.49) | CYP1A2POLBCYP3A4CYP2C9TSHR |
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 3 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 |
| WO-1993011115-A2 | QUINOLONE DERIVATIVES AND THEIR USE AS NMDA AND AMPA RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1993-06-10 | — | — | WO | disclosed |