Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 5/20 | 0.39 |
| ▸ | TERT | O14746 | 2/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 2/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR1D | P28221 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.34 |
| ▸ | CCNK | O75909 | 1/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CDK7 | P50613 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 1/20 | 0.34 |
| ▸ | CCNH | P51946 | 1/20 | 0.34 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.34 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL676267 | 0.92 | TBK1 (0.36) | TERT | |
| SCHEMBL674810 | 0.87 | HTR1A (0.42) | TERTPTGESHTR1AHTR1DHTR1B | |
| SCHEMBL675701 | 0.74 | OPRM1 (0.36) | ACHE | |
| SCHEMBL8435362 | 0.72 | CYP1A2 (0.53) | BCHENPC1RAB9AACHEEPHX1 | |
| SCHEMBL674984 | 0.71 | UTS2R (0.44) | GSK3B | |
| SCHEMBL10749942 | 0.71 | CYP1A2 (0.52) | BCHENPC1RAB9AACHEEPHX1 | |
| SCHEMBL676806 | 0.71 | ADORA2A (0.44) | GSK3BNPC1RAB9APTGESTUBB4A | |
| SCHEMBL532789 | 0.69 | HTR1A (0.55) | HTR1AHTR1DHTR1BACHETUBB4A | |
| SCHEMBL676319 | 0.69 | UTS2R (0.44) | PTGESHTR1AHTR1DHTR1BTUBB4A | |
| SCHEMBL12795553 | 0.68 | HTR1A (0.57) | HTR1AHTR1DHTR1BACHE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010025872-A2 | ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL | UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) | 2010-03-11 | — | — | WO | disclosed |