Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSV | O60911 | 2/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 4/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 4/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 4/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 3/20 | 0.41 |
| ▸ | GABRP | O00591 | 2/20 | 0.41 |
| ▸ | GABRD | O14764 | 2/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | GABRE | P78334 | 2/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.41 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.41 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL676023 | 0.87 | CASP3 (0.52) | GSK3AGSK3BCHEK1ALK | |
| SCHEMBL677178 | 0.87 | SGK1 (0.40) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL3724337 | 0.85 | PGR (0.44) | IDO1ALK | |
| SCHEMBL3728948 | 0.83 | GABRP (0.39) | CTSVCTSLGABRA1GABRG2GABRB3 | |
| SCHEMBL3728950 | 0.83 | GABRP (0.39) | CTSVCTSLGABRA1GABRG2GABRB3 | |
| SCHEMBL3733141 | 0.82 | LSS (0.42) | CTSVCTSL | |
| SCHEMBL3433144 | 0.81 | HRH3 (0.40) | — | |
| SCHEMBL3733124 | 0.81 | CHEK1 (0.58) | CHEK1 | |
| SCHEMBL3724263 | 0.80 | ALK (0.39) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL3724262 | 0.80 | ALK (0.39) | GABRA1GABRG2GABRB3GABRA5GABRA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-8895744-B2 | Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl | UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) | 2014-11-25 | — | — | US | disclosed |
| EP-2161271-A1 | Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl | Università Degli Studi Di Milano - Bicocca (IT) | 2010-03-10 | — | — | EP | disclosed |