Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 3/20 | 0.47 |
| ▸ | NEK2 | P51955 | 1/20 | 0.46 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.42 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.41 |
| ▸ | SRC | P12931 | 2/20 | 0.41 |
| ▸ | ABL2 | P42684 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | TAF1 | P21675 | 1/20 | 0.40 |
| ▸ | CECR2 | Q9BXF3 | 1/20 | 0.40 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.40 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.39 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.39 |
| ▸ | ITGAL | P20701 | 1/20 | 0.39 |
| ▸ | VCP | P55072 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | KLK3 | P07288 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28789722 | 0.71 | KMO (0.50) | FAAHKLK3MAP4K4 | |
| SCHEMBL558582 | 0.70 | ASIC3 (0.59) | ABL1EGFRSRCFAAHMAP4K4 | |
| SCHEMBL28789718 | 0.70 | NEK2 (0.44) | DPP4NEK2ITGB2ICAM1ITGAL | |
| SCHEMBL28785976 | 0.68 | ITGB2 (0.49) | DPP4ITGB2ICAM1ITGAL | |
| SCHEMBL27821810 | 0.67 | CYP1A2 (0.58) | USP30ABL1NPC1RAB9AFAAH | |
| SCHEMBL27800971 | 0.67 | ALDH1A1 (0.60) | USP30NPC1RAB9AFAAHKMT2A | |
| SCHEMBL26409829 | 0.67 | NPSR1 (0.65) | KMT2A | |
| SCHEMBL12301510 | 0.67 | CLK4 (0.56) | FAAHMAP4K4 | |
| SCHEMBL1937818 | 0.66 | KMO (0.68) | FAAH | |
| SCHEMBL27801034 | 0.65 | ITGB2 (0.55) | DPP4NEK2ITGB2ICAM1ITGAL |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104151293-A | Inhibitors of protein kinases | INGENIUM PHARMACEUTICALS GMBH | 2014-11-19 | — | — | CN | disclosed |
| CN-101889004-B | Protein kinase inhibitors | INGENIUM PHARMACEUTICALS GMBH | 2014-09-10 | — | — | CN | disclosed |
| CN-101889004-A | Protein kinase inhibitors | INGENIUM PHARMACEUTICALS GMBH | 2010-11-17 | — | — | CN | disclosed |