Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 10/20 | 0.42 |
| ▸ | AKT1 | P31749 | 4/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL675050 | 0.92 | PIK3CA (0.42) | PIK3CAAKT1PKMTSHRPIK3CD | |
| SCHEMBL3723156 | 0.86 | NOD2 (0.37) | PIK3CAAKT1PKMTSHRPIK3CD | |
| SCHEMBL675440 | 0.86 | PIK3CA (0.42) | PIK3CAAKT1PKMTSHRPIK3CD | |
| SCHEMBL3669202 | 0.84 | ACVR1B (0.41) | PIK3CAAKT1PKMTSHRPIK3CD | |
| SCHEMBL675054 | 0.83 | PIK3CA (0.42) | PIK3CAAKT1PKMTSHRPIK3CD | |
| SCHEMBL3434703 | 0.78 | NOD2 (0.37) | PIK3CAAKT1PKMTSHRPIK3CD | |
| SCHEMBL3668206 | 0.76 | PARP1 (0.45) | TSHRPIK3CDMTORMAPTALDH1A1 | |
| SCHEMBL675183 | 0.75 | HTR6 (0.47) | MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL676293 | 0.71 | NPC1 (0.45) | TSHRPIK3CDMTORMAPTALDH1A1 | |
| SCHEMBL676078 | 0.71 | ALDH1A1 (0.40) | TSHRKDM4EMAPTALDH1A1L3MBTL1 |
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 |