Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.42 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.42 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.42 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RXRA | P19793 | 2/20 | 0.41 |
| ▸ | RXRB | P28702 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | CLIC1 | O00299 | 1/20 | 0.37 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10456939 | 0.84 | METAP2 (0.47) | SMN1; SMN2PTPN11CYP3A4KDM4ETDP1 | |
| SCHEMBL15957663 | 0.82 | METAP2 (0.48) | SMN1; SMN2CYP3A4KDM4EPOLBTDP1 | |
| SCHEMBL1257818 | 0.82 | SMN1; SMN2 (0.54) | SMN1; SMN2SRCCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL11741944 | 0.81 | SRC (0.52) | SMN1; SMN2SRCCYP1A2CYP3A4CYP2C19 | |
| SCHEMBL11197828 | 0.81 | L3MBTL1 (0.36) | SMN1; SMN2CYP3A4KDM4EPOLBTDP1 | |
| SCHEMBL14783306 | 0.81 | L3MBTL1 (0.36) | SMN1; SMN2CYP3A4KDM4EMAPTTDP1 | |
| SCHEMBL8793515 | 0.81 | PON1 (0.39) | SMN1; SMN2CYP1A2CYP3A4CYP2C19KDM4E | |
| Ammonia Solution, Strong SCHEMBL28714250 | 0.80 | SMN1; SMN2 (0.53) | SMN1; SMN2SRCCYP1A2CYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL27837550 | 0.79 | L3MBTL1 (0.35) | SMN1; SMN2CYP3A4KDM4EMAPTTDP1 | |
| SCHEMBL6384650 | 0.78 | SMN1; SMN2 (0.47) | SMN1; SMN2DUSP3PTPN5PTPN11CTDSP1 |
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 |