Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 10/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL9539400 | 0.90 | KCNH2 (0.47) | KCNH2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL9536726 | 0.90 | KCNH2 (0.49) | KCNH2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL9540550 | 0.89 | KCNH2 (0.50) | KCNH2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL8559728 | 0.87 | ALDH1A1 (0.52) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| Hydrochloric Acid SCHEMBL8564292 | 0.86 | ALDH1A1 (0.51) | ALDH1A1POLBOPRM1CHRM2CHRM1 | |
| SCHEMBL10866859 | 0.83 | KCNH2 (0.41) | KCNH2ALDH1A1KDM4EHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL10914785 | 0.82 | ALDH1A1 (0.55) | KCNH2ALDH1A1KDM4EHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL2915199 | 0.82 | ALDH1A1 (0.45) | KCNH2ALDH1A1KDM4EHPGDHSD17B10 | |
| Hydrochloric Acid SCHEMBL10862782 | 0.82 | KCNH2 (0.41) | KCNH2ALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL10751705 | 0.81 | ALDH1A1 (0.38) | KCNH2ALDH1A1KDM4EHPGDHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0559774-A1 | INDIVIDUAL STEREOISOMERS OF 7- 3-(1-AMINOALKYL)-1-PYRROLIDINYL]-QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1993-09-15 | — | — | EP | disclosed |