Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KRAS | P01116 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | GLS | O94925 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | PLG | P00747 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31735651 | 0.75 | CHRNB4 (0.44) | SLC6A2CYP3A4CYP2C19KRASCYP19A1 | |
| SCHEMBL31036118 | 0.75 | SLC6A2 (0.44) | SLC6A2KRASCYP19A1GLSMAPT | |
| SCHEMBL29263697 | 0.75 | SLC6A2 (0.44) | SLC6A2KRASCYP19A1GLSMAPT | |
| SCHEMBL31735701 | 0.74 | SLC6A2 (0.43) | SLC6A2KRASCYP19A1GLSMAPT | |
| SCHEMBL3354763 | 0.73 | HTR3E (0.42) | SLC6A2CYP3A4CYP2C19KRASCYP1A2 | |
| SCHEMBL3354240 | 0.72 | HTR7 (0.45) | SLC6A2CYP19A1MAPTALDH1A1 | |
| SCHEMBL17199304 | 0.71 | SLC6A2 (0.41) | SLC6A2KRASCYP19A1GLSMAPT | |
| SCHEMBL18428340 | 0.71 | SLC6A2 (0.41) | SLC6A2KRASCYP19A1GLSMAPT | |
| SCHEMBL17199158 | 0.71 | SLC6A2 (0.41) | SLC6A2KRASCYP19A1GLSMAPT | |
| SCHEMBL23902708 | 0.70 | SLC6A2 (0.40) | SLC6A2KRASCYP19A1GLSMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-105348168-A | 1-(2-(adamantane-1-yl)-1H-indole-5-yl)-3-substituted urea derivative, preparation and use thereof | UNIV XIAMEN | 2016-02-24 | — | — | CN | disclosed |