Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 3/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25915129 | 0.71 | BCL2 (0.51) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL2222181 | 0.70 | MAOB (0.35) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL12514877 | 0.70 | BCL2 (0.46) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL15063932 | 0.69 | — | — | |
| SCHEMBL5086334 | 0.69 | ADRA2C (0.41) | GABRG2GABRB3GABRA5GABRA3KDM4E | |
| SCHEMBL4609040 | 0.69 | CNR1 (0.40) | — | |
| SCHEMBL12514811 | 0.68 | GABRG2 (0.43) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL4431948 | 0.68 | MEN1 (0.33) | SMN1; SMN2MEN1KMT2AKDM4ERXFP1 | |
| SCHEMBL15063765 | 0.67 | GABRG2 (0.39) | GABRG2GABRB3GABRA5GABRA3GABRA1 | |
| SCHEMBL80602 | 0.66 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2521450-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | E.I. Du Pont De Nemours And Company (US) | 2012-11-14 | — | — | EP | disclosed |
| WO-2011085170-A1 | FUNGICIDAL HETEROCYCLIC COMPOUNDS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-07-14 | — | — | WO | disclosed |