Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 6/20 | 0.39 |
| ▸ | NPC1 | O15118 | 5/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | PLK4 | O00444 | 1/20 | 0.38 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | INSR | P06213 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | ROS1 | P08922 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL2022386 | 0.89 | CA1 (0.48) | CYP2D6CYP2C19CA1CA2RAB9A | |
| SCHEMBL2024323 | 0.75 | SMN1; SMN2 (0.47) | CYP2C19CA1CA2RAB9ANPC1 | |
| SCHEMBL9894319 | 0.71 | ALDH1A1 (0.48) | CYP2D6CYP2C19CA1CA2RAB9A | |
| SCHEMBL2021051 | 0.71 | MEN1 (0.57) | CA1CA2RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL21674204 | 0.71 | MEN1 (0.57) | CA1CA2RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL2022650 | 0.71 | POLB (0.59) | CYP2C19CA1CA2RAB9ANPC1 | |
| SCHEMBL20709767 | 0.71 | RAB9A (0.73) | CYP2C19RAB9ANPC1SMN1; SMN2KDM4E | |
| SCHEMBL15381991 | 0.71 | RAB9A (0.66) | RAB9ANPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL6846675 | 0.70 | ALDH1A1 (0.63) | CYP2D6CYP2C19CA1CA2KDM4E | |
| SCHEMBL710211 | 0.69 | PLK1 (0.68) | CA1CA2SMN1; SMN2HTTHDAC2 |
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-8519040-B2 | Ionic organic compound, production method thereof, hydrogelling agent composed of the ionic organic compound, hydrogel containing same, methanol gelling agent, methanol gel containing same, and carbon nanotube dispersant | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2013-08-27 | — | — | US | disclosed |