Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | CSF1R | P07333 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | XBP1 | P17861 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL8925137 | 0.89 | ALDH1A1 (0.56) | ALDH1A1CSF1RCYP1A2CYP2C19CYP2C9 | |
| SCHEMBL8923307 | 0.86 | GPR17 (0.62) | CSF1RCYP1A2CYP2C19CYP2C9TSHR | |
| SCHEMBL8923436 | 0.85 | KDM4E (0.52) | CSF1RCYP1A2CYP2C19CYP2C9TSHR | |
| SCHEMBL8925697 | 0.81 | ALDH1A1 (0.58) | ALDH1A1CSF1RCYP1A2CYP2C19CYP2C9 | |
| SCHEMBL8923670 | 0.79 | KDM4E (0.55) | CSF1RCYP1A2CYP2C19CYP2C9TSHR | |
| SCHEMBL15622620 | 0.78 | ALOX15 (0.64) | ALDH1A1HPGDCYP1A2CYP2C19XBP1 | |
| SCHEMBL11297387 | 0.77 | ALDH1A1 (0.82) | ALDH1A1HPGDCSF1RCYP1A2CYP2C19 | |
| SCHEMBL8925470 | 0.76 | KDM4E (0.49) | ALDH1A1HPGDCSF1RCYP1A2CYP2C19 | |
| SCHEMBL8923364 | 0.74 | CYP1A2 (0.52) | CSF1RCYP1A2CYP2C19CYP2C9TSHR | |
| SCHEMBL8924079 | 0.73 | CSF1R (0.49) | ALDH1A1CSF1RCYP1A2CYP2C9TSHR |
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 |
|---|---|---|---|---|---|---|---|
| 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 |