Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | KCNN4 | O15554 | 6/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.43 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.43 |
| ▸ | WNT3A | P56704 | 2/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.41 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.41 |
| ▸ | CLK1 | P49759 | 1/20 | 0.41 |
| ▸ | CLK2 | P49760 | 1/20 | 0.41 |
| ▸ | CLK3 | P49761 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17598043 | 0.84 | PIM1 (0.48) | NPC1RAB9AJAK2KCNN4ROCK2 | |
| SCHEMBL17591695 | 0.84 | KCNN4 (0.39) | KCNN4PIM1PIM3PIM2CYP3A4 | |
| SCHEMBL17593780 | 0.82 | PIM1 (0.42) | NPC1RAB9AJAK2ROCK2CTNNB1 | |
| SCHEMBL17592012 | 0.81 | KCNN4 (0.56) | KCNN4ALDH1A1MAPTCYP3A4 | |
| SCHEMBL17593814 | 0.81 | PIM1 (0.41) | NPC1RAB9AJAK2ROCK2CTNNB1 | |
| SCHEMBL18454467 | 0.81 | NAMPT (0.39) | KCNN4ROCK2CTNNB1WNT3AROCK1 | |
| SCHEMBL17594429 | 0.80 | PIM1 (0.40) | NPC1RAB9AJAK2ROCK2CTNNB1 | |
| SCHEMBL17594159 | 0.80 | CYP3A4 (0.42) | NPC1RAB9AJAK2ROCK2CTNNB1 | |
| SCHEMBL29931793 | 0.80 | CYP3A4 (0.42) | NPC1RAB9AJAK2ROCK2CTNNB1 | |
| SCHEMBL17592815 | 0.78 | PIM1 (0.45) | NPC1RAB9AKCNN4CTNNB1WNT3A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017024021-A1 | 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-INDAZOLES AND THERAPEUTIC USES THEREOF | SAMUMED, LLC (US) | 2017-02-09 | — | — | WO | claimed |
| WO-2016040185-A1 | 2-(1H-INDAZOL-3-YL)-3H-IMIDAZO[4,5-B]PYRIDINE AND THERAPEUTIC USES THEREOF | SAMUMED, LLC (US) | 2016-03-17 | — | — | WO | claimed |