Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 3/20 | 0.43 |
| ▸ | UTS2R | Q9UKP6 | 5/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL677069 | 0.88 | GABRA1 (0.39) | CNR2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL3733722 | 0.84 | ALK (0.48) | UTS2RALK | |
| SCHEMBL676627 | 0.81 | ALK (0.45) | CNR2UTS2RGABRA1GABRG2GABRB3 | |
| SCHEMBL676628 | 0.81 | ALK (0.45) | CNR2UTS2RGABRA1GABRG2GABRB3 | |
| SCHEMBL677070 | 0.80 | CNR2 (0.42) | CNR2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL675789 | 0.80 | TLR8 (0.42) | CNR2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL677068 | 0.79 | CNR2 (0.39) | CNR2UTS2RGABRA1GABRG2GABRB3 | |
| SCHEMBL3719653 | 0.79 | ALK (0.54) | UTS2RNPC1RAB9ASMN1; SMN2CCNB2 | |
| SCHEMBL3732265 | 0.78 | CNR2 (0.43) | CNR2GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL3671654 | 0.78 | CCNB2 (0.46) | 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 |