Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.38 |
| ▸ | ICMT | O60725 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.36 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.36 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.36 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.36 |
| ▸ | PSENEN | Q9NZ42 | 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 | |
|---|---|---|---|---|
| SCHEMBL3726800 | 0.86 | HTR6 (0.40) | ICMTPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL3668206 | 0.85 | PARP1 (0.45) | NPC1RAB9AATMALDH1A1NPSR1 | |
| SCHEMBL676293 | 0.85 | NPC1 (0.45) | NPC1RAB9AATMALDH1A1NPSR1 | |
| SCHEMBL3724235 | 0.83 | PIK3CD (0.40) | NPC1RAB9AATMPIK3CDMTOR | |
| SCHEMBL3723156 | 0.82 | NOD2 (0.37) | NPC1RAB9AALDH1A1PIK3CDMTOR | |
| SCHEMBL676120 | 0.81 | HTR6 (0.44) | RAB9AALDH1A1TSHRPSEN1PSEN2 | |
| SCHEMBL3721458 | 0.79 | CNR2 (0.37) | ALDH1A1TSHRPSEN1PSEN2APH1B | |
| SCHEMBL677027 | 0.77 | PIK3CD (0.47) | NPC1RAB9AATMALDH1A1NPSR1 | |
| SCHEMBL3721754 | 0.77 | ALDH1A1 (0.40) | ALDH1A1PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL3666429 | 0.76 | PIK3CA (0.44) | NPC1RAB9AATMALDH1A1PIK3CD |
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 |