Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18082547 | 0.84 | ALDH1A1 (0.39) | CYP1A2CYP2D6ALDH1A1KEAP1SMN1; SMN2 | |
| Fluoride SCHEMBL30330735 | 0.83 | BCHE (0.46) | BCHE | |
| SCHEMBL27281617 | 0.81 | BCHE (0.47) | BCHE | |
| SCHEMBL17517688 | 0.81 | KEAP1 (0.48) | CYP1A2CYP2D6ALDH1A1KEAP1SMN1; SMN2 | |
| SCHEMBL17277609 | 0.80 | HRH3 (0.45) | CYP1A2CYP2D6KEAP1SMN1; SMN2HRH3 | |
| Fluoride SCHEMBL30330720 | 0.80 | BCHE (0.55) | BCHESIGMAR1 | |
| Fluoride SCHEMBL30330155 | 0.80 | BCHE (0.55) | BCHESIGMAR1 | |
| Fluoride SCHEMBL30330691 | 0.80 | BCHE (0.55) | BCHESIGMAR1 | |
| SCHEMBL12439 | 0.79 | KDM1A (0.43) | BCHE | |
| Fluoride SCHEMBL30329860 | 0.79 | DRD4 (0.49) | BCHESIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9193731-B2 | Antimicrobial compounds and methods of making and using the same | MELINTA THERAPEUTICS, INC. (US) | 2015-11-24 | — | — | US | disclosed |