Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.41 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CLK2 | P49760 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
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 SCHEMBL13823485 | 0.99 | KCNH2 (0.47) | KCNH2KDM4ESMN1; SMN2CYP1A2ALDH1A1 | |
| SCHEMBL4717958 | 0.85 | KDM4E (0.57) | KCNH2KDM4ESMN1; SMN2CYP1A2ALDH1A1 | |
| SCHEMBL29433780 | 0.85 | KDM4E (0.57) | KCNH2KDM4ESMN1; SMN2CYP1A2ALDH1A1 | |
| SCHEMBL31475494 | 0.78 | KDM4E (0.51) | KCNH2KDM4ESMN1; SMN2CYP1A2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL31406960 | 0.77 | KDM4E (0.50) | KCNH2KDM4ESMN1; SMN2CYP1A2ALDH1A1 | |
| SCHEMBL4714916 | 0.75 | KDM4E (0.52) | KCNH2KDM4ESMN1; SMN2CYP1A2ALDH1A1 | |
| SCHEMBL28411639 | 0.73 | ADRB2 (0.60) | KCNH2POLBGSK3BADRB2TOP2A | |
| SCHEMBL31071660 | 0.73 | KDM4E (0.50) | KCNH2KDM4ESMN1; SMN2CYP1A2ALDH1A1 | |
| SCHEMBL3858815 | 0.73 | ADRB2 (0.41) | KCNH2KDM4ESMN1; SMN2CYP1A2ALDH1A1 | |
| SCHEMBL31071659 | 0.73 | KDM4E (0.50) | KCNH2KDM4ESMN1; SMN2CYP1A2ALDH1A1 |
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-2523948-A1 | PRO-DRUGS OF (E) -7- (3- (2-AMINO-1-FLUOROETHYLIDENE) PIPERIDIN-1-YL) -1-CYCLOPROPYL-6-FLUORO-8-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID | Janssen Pharmaceutica, N.V. (BE) | 2012-11-21 | — | — | EP | disclosed |