Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPN1 | P15169 | 2/20 | 0.43 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | GABRP | O00591 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.40 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.40 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.40 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.40 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.40 |
| ▸ | GABRE | P78334 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.40 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.40 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.40 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2706392 | 0.80 | — | — | |
| Trifluoroacetic Acid SCHEMBL30619064 | 0.78 | PKM (0.39) | CPN1CPB2GABRA5GABRB2GABRP | |
| Hydrochloric Acid SCHEMBL14917263 | 0.78 | CPN1 (0.35) | CPN1CPB2GABRA5GABRB2GABRP | |
| Trifluoroacetic Acid SCHEMBL27849942 | 0.77 | GABRA5 (0.44) | CPN1CPB2GABRA5GABRB2GABRP | |
| Trifluoroacetic Acid SCHEMBL349020 | 0.76 | CPN1 (0.36) | CPN1CPB2GABRA5GABRB2GABRP | |
| Trifluoroacetic Acid SCHEMBL23466638 | 0.75 | GABRP (0.54) | CPN1CPB2GABRA5GABRB2GABRP | |
| Isonipecotic Acid SCHEMBL29651431 | 0.75 | TSHR (0.74) | GABRA5GABRB2GABRPGABRDGABRA1 | |
| Isonipecotic Acid SCHEMBL15533683 | 0.75 | TSHR (0.74) | GABRA5GABRB2GABRPGABRDGABRA1 | |
| Trifluoroacetic Acid SCHEMBL28212086 | 0.75 | GABRA5 (0.43) | CPN1CPB2GABRA5GABRB2GABRP | |
| Trifluoroacetic Acid SCHEMBL31525039 | 0.75 | GABRA5 (0.43) | CPN1CPB2GABRA5GABRB2GABRP |
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-2010138490-A1 | BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2010-12-02 | — | — | WO | disclosed |