Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA5 | P31644 | 4/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.50 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.50 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.50 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.50 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.50 |
| ▸ | GABRP | O00591 | 1/20 | 0.50 |
| ▸ | GABRD | O14764 | 1/20 | 0.50 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.50 |
| ▸ | GABRE | P78334 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.50 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.50 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Fumaric Acid SCHEMBL5745514 | 0.83 | TSHR (0.44) | GABRA5GABRB2GABRA1GABRA4TSHR | |
| Fumaric Acid SCHEMBL5745504 | 0.83 | TSHR (0.44) | GABRA5GABRB2GABRA1GABRA4TSHR | |
| SCHEMBL62516 | 0.83 | — | — | |
| Pivalate SCHEMBL5769320 | 0.81 | GABRA5 (0.43) | GABRA5GABRB2GABRA1GABRA4TSHR | |
| Trifluoroacetic Acid SCHEMBL31525039 | 0.81 | GABRA5 (0.43) | GABRA5GABRB2GABRA1GABRA4TSHR | |
| Trifluoroacetic Acid SCHEMBL28212086 | 0.81 | GABRA5 (0.43) | GABRA5GABRB2GABRA1GABRA4TSHR | |
| Trifluoroacetamide SCHEMBL14991990 | 0.81 | GABRA5 (0.38) | GABRA5GABRB2GABRA1GABRA4TSHR | |
| Cadaverine Tartrate SCHEMBL29035526 | 0.81 | TSHR (0.43) | GABRA5GABRB2GABRA1GABRA4TSHR | |
| Propionic Acid SCHEMBL27493235 | 0.81 | GABRA5 (0.45) | GABRA5GABRB2GABRA1GABRA4TSHR | |
| Methyl Alcohol SCHEMBL28212267 | 0.80 | — | — |
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-20020032262-A1 | 2-aminoarylmethylamine solid support templated for preparation of highly functionalized heterocycle compounds | ZHANG JINFANG (US) | 2002-03-14 | — | — | US | disclosed |