Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 6/20 | 0.63 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.46 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.43 |
| ▸ | KIT | P10721 | 2/20 | 0.43 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | CLK1 | P49759 | 1/20 | 0.42 |
| ▸ | FPR1 | P21462 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.41 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21083377 | 0.91 | TGFBR1 (0.60) | TGFBR1RIPK2KITALDH1A1HPGD | |
| SCHEMBL21084180 | 0.86 | TGFBR1 (0.58) | TGFBR1NTRK1RIPK2USP30BRD4 | |
| SCHEMBL24654176 | 0.85 | TGFBR1 (0.58) | TGFBR1NTRK1RIPK2USP30BRD4 | |
| SCHEMBL23873077 | 0.85 | TGFBR1 (0.58) | TGFBR1NTRK1RIPK2USP30BRD4 | |
| SCHEMBL21083374 | 0.78 | TGFBR1 (1.00) | TGFBR1 | |
| SCHEMBL16917274 | 0.78 | TGFBR1 (0.60) | TGFBR1CLK1 | |
| SCHEMBL21083380 | 0.77 | TGFBR1 (0.66) | TGFBR1ALDH1A1 | |
| SCHEMBL14145741 | 0.76 | CLK1 (0.61) | TGFBR1KITALDH1A1HPGDCLK1 | |
| SCHEMBL21083424 | 0.76 | TGFBR1 (0.56) | TGFBR1KITALDH1A1HPGDCLK1 | |
| SCHEMBL21085001 | 0.76 | TGFBR1 (0.54) | TGFBR1RIPK2USP30CLK1CNR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3492461-A1 | NITROGENOUS HETEROCYCLIC AROMATIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF | Shanghai Yingli Pharmaceutical Co. Ltd. (CN) | 2019-06-05 | — | — | EP | disclosed |