Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SOST | Q9BQB4 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NSD2 | O96028 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PGK1 | P00558 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6080146 | 0.99 | FDPS (0.35) | FDPSCYP1A2CYP3A4CYP2D6CLK4 | |
| SCHEMBL6079945 | 0.89 | NQO2 (0.38) | FDPSCYP1A2CYP3A4CYP2D6CLK4 | |
| SCHEMBL6599957 | 0.82 | CTSL (0.46) | FDPSCYP1A2CYP3A4CYP2D6KDM4E | |
| SCHEMBL6591659 | 0.78 | NPC1 (0.44) | FDPSCYP1A2CYP3A4KDM4ETDP1 | |
| SCHEMBL6595265 | 0.78 | KDM4E (0.35) | FDPSKDM4ETDP1TSHRPARP1 | |
| Hydrochloric Acid SCHEMBL6080156 | 0.77 | KDM4E (0.35) | FDPSKDM4ETDP1PARP1ELANE | |
| SCHEMBL6080191 | 0.73 | KDM4E (0.45) | FDPSKDM4ETDP1TSHRPARP1 | |
| SCHEMBL6080046 | 0.73 | CTSL (0.51) | FDPSCYP1A2CYP3A4CYP2D6KDM4E | |
| SCHEMBL6079942 | 0.72 | APP (0.44) | KDM4ETDP1LMNAALDH1A1CYP2C9 | |
| Hydrochloric Acid SCHEMBL6080465 | 0.71 | KDM4E (0.43) | CYP1A2CYP3A4CYP2D6KDM4ECYP2C19 |
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 2 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 | disclosed |
| WO-2003010146-A1 | COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF | NEURO3D (FR) | 2003-02-06 | — | — | WO | disclosed |