Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 7/20 | 0.38 |
| ▸ | CA2 | P00918 | 7/20 | 0.38 |
| ▸ | CA12 | O43570 | 4/20 | 0.38 |
| ▸ | CA9 | Q16790 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | STK17B | O94768 | 1/20 | 0.36 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6080532 | 0.91 | NQO2 (0.42) | NQO2CA1CA2CA12CA9 | |
| SCHEMBL6593524 | 0.82 | NQO2 (0.48) | NQO2CA1CA2CA12CA9 | |
| SCHEMBL6080534 | 0.82 | NQO2 (0.41) | NQO2CA1CA2CA12CA9 | |
| SCHEMBL6590869 | 0.81 | NQO2 (0.40) | NQO2CA1CA2CA12CA9 | |
| SCHEMBL6590517 | 0.79 | CA1 (0.38) | NQO2CA1CA2CA12CA9 | |
| SCHEMBL6596080 | 0.78 | NQO2 (0.45) | NQO2CA1CA2CA12CA9 | |
| SCHEMBL6080062 | 0.78 | KDM4E (0.43) | CA2KMT2ATDP1KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL6080350 | 0.77 | NQO2 (0.44) | NQO2CA1CA2CA12CA9 | |
| SCHEMBL6080871 | 0.77 | NQO2 (0.44) | NQO2CA1CA2MEN1GAA | |
| SCHEMBL6080040 | 0.75 | NQO2 (0.47) | NQO2CA1CA2CA12CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1451159-A1 | COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF | NEURO3D (FR) | 2004-09-01 | — | — | EP | claimed |
| WO-2003010146-A1 | COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF | NEURO3D (FR) | 2003-02-06 | — | — | WO | claimed |
| EP-1451159-A1 | COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF | NEURO3D (FR) | 2004-09-01 | — | — | EP | disclosed |
| WO-2003010146-A1 | COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF | NEURO3D (FR) | 2003-02-06 | — | — | WO | disclosed |