Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 4/20 | 0.44 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.43 |
| ▸ | MTOR | P42345 | 2/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.41 |
| ▸ | CAMKK2 | Q96RR4 | 2/20 | 0.40 |
| ▸ | CHUK | O15111 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 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 | |
|---|---|---|---|---|
| SCHEMBL675621 | 0.91 | PIK3CD (0.45) | PIK3CAPIK3CDMTORTSHRNPC1 | |
| SCHEMBL3724235 | 0.85 | PIK3CD (0.40) | PIK3CAPIK3CDMTORTSHRNPC1 | |
| SCHEMBL676859 | 0.83 | HTR6 (0.43) | PIK3CA | |
| SCHEMBL677027 | 0.82 | PIK3CD (0.47) | PIK3CAPIK3CDMTORTSHRNPC1 | |
| SCHEMBL3668206 | 0.81 | PARP1 (0.45) | PIK3CDMTORTSHRNPC1RAB9A | |
| SCHEMBL676293 | 0.81 | NPC1 (0.45) | PIK3CDMTORTSHRNPC1RAB9A | |
| SCHEMBL675809 | 0.77 | CCNA2 (0.46) | PIK3CAPIK3CDALDH1A1MAPT | |
| SCHEMBL4311883 | 0.76 | TSHR (0.43) | PIK3CDMTORTSHRNPC1RAB9A | |
| SCHEMBL15532121 | 0.76 | ALK (0.63) | PIK3CAMAPKAPK2 | |
| SCHEMBL674219 | 0.76 | MEN1 (0.46) | ALDH1A1 |
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 |