Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.40 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.37 |
| ▸ | BRD2 | P25440 | 1/20 | 0.37 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.37 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.37 |
| ▸ | BAZ2A | Q9UIF9 | 1/20 | 0.37 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | PRKCI | P41743 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 2/20 | 0.35 |
| ▸ | BTK | Q06187 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | KDM6B | O15054 | 1/20 | 0.34 |
| ▸ | KDM4A | O75164 | 1/20 | 0.34 |
| ▸ | KDM5C | P41229 | 1/20 | 0.34 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.34 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.34 |
| ▸ | KDM3A | Q9Y4C1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18440904 | 0.86 | NR1H2 (0.39) | NR1H2GPR119BRD4BRD2BRD3 | |
| SCHEMBL18495070 | 0.84 | NR1H2 (0.44) | NR1H2GPR119BRD4BRD2BRD3 | |
| SCHEMBL20409198 | 0.84 | NR1H2 (0.38) | NR1H2GPR119BRD4BRD2BRD3 | |
| SCHEMBL18441069 | 0.79 | BRD4 (0.39) | NR1H2GPR119BRD4BRD2BRD3 | |
| SCHEMBL23104802 | 0.78 | GABRG2 (0.37) | NR1H2GPR119POLBGABRG2GABRB3 | |
| SCHEMBL12685166 | 0.75 | POLB (0.41) | NR1H2GPR119KDM4EPOLBGABRG2 | |
| SCHEMBL18480157 | 0.73 | IDE (0.40) | GPR119 | |
| SCHEMBL18443746 | 0.73 | NR1H2 (0.42) | NR1H2GPR119BRD4BRD2BRD3 | |
| SCHEMBL28605059 | 0.71 | BRD4 (0.38) | NR1H2GPR119BRD4BRD2BRD3 | |
| SCHEMBL31710489 | 0.71 | ELANE (0.41) | NR1H2POLB |
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 | disclosed |
| WO-2017024004-A1 | 3-(1H-PYRROLO[2,3-B]PYRIDIN-2-YL)-1H-PYRAZOLO[4,3-B]PYRIDINES AND THERAPEUTIC USES THEREOF | SAMUMED, LLC. (US) | 2017-02-09 | — | — | WO | disclosed |