Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.37 |
| ▸ | ACACB | O00763 | 3/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL26746 | 0.86 | SLC6A2 (0.44) | SLC6A2SLC6A4SLC6A3KIF11ACACB | |
| SCHEMBL18866585 | 0.78 | MAPT (0.44) | SLC6A2SLC6A4SLC6A3KIF11ACACB | |
| SCHEMBL198046 | 0.78 | RIPK1 (0.43) | SLC6A2SLC6A4SLC6A3KIF11ACACB | |
| SCHEMBL19339945 | 0.78 | MAPT (0.44) | SLC6A2SLC6A4SLC6A3KIF11ACACB | |
| SCHEMBL5285766 | 0.76 | CA1 (0.61) | MEN1KMT2AKDM4ECYP3A4MAPT | |
| SCHEMBL317934 | 0.76 | ACHE (0.50) | SLC6A2SLC6A4SLC6A3KIF11ACACB | |
| SCHEMBL13923557 | 0.74 | MAPT (0.47) | SLC6A2SLC6A4SLC6A3KIF11KDM4E | |
| SCHEMBL8663939 | 0.74 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3KIF11ACACB | |
| SCHEMBL1006518 | 0.74 | ALDH1A1 (0.42) | SLC6A2SLC6A4SLC6A3KIF11ACACB | |
| SCHEMBL57369 | 0.74 | MEN1 (0.57) | SLC6A2SLC6A4SLC6A3MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012032014-A1 | ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-03-15 | — | — | WO | disclosed |