Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.33 |
| ▸ | DHFR | P00374 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6131303 | 0.89 | GABRA1 (0.37) | GABRA1GABRB2GABRA5GABRA3GABRA2 | |
| SCHEMBL27790725 | 0.88 | GABRA1 (0.36) | GABRA1GABRB2GABRA5GABRA3GABRA2 | |
| SCHEMBL31614612 | 0.84 | DHFR (0.35) | GABRA1GABRB2GABRA5GABRA3GABRA2 | |
| SCHEMBL20170333 | 0.81 | GABRA1 (0.40) | GABRA1GABRB2GABRA5GABRA3GABRA2 | |
| SCHEMBL19972056 | 0.81 | GABRA1 (0.34) | GABRA1GABRB2GABRA5GABRA3GABRA2 | |
| SCHEMBL10933384 | 0.79 | HTT (0.42) | GABRA1GABRB2GABRA5GABRA3GABRA2 | |
| SCHEMBL23863705 | 0.78 | NOS2 (0.42) | SKP2MAPTTP53SMN1; SMN2HSD17B10 | |
| SCHEMBL27876554 | 0.78 | SKP2 (0.41) | GABRA1GABRB2GABRA5GABRA3GABRA2 | |
| SCHEMBL1100124 | 0.77 | DHFR (0.41) | DHFR | |
| SCHEMBL11497456 | 0.77 | HTT (0.47) | GABRA1GABRB2GABRA5GABRA3GABRA2 |
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-2013009372-A1 | PHOSPHORUS-CONTAINING SECONDARY AMINE COMPOUNDS | HUNTSMAN PETROCHEMICAL LLC (US) | 2013-01-17 | — | — | WO | disclosed |