Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.51 |
| ▸ | MEN1 | O00255 | 5/20 | 0.51 |
| ▸ | CASP3 | P42574 | 1/20 | 0.51 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.51 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.51 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | SCD | O00767 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | ACP1 | P24666 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1014037 | 0.86 | KMT2A (0.67) | NPC1RAB9AKMT2AMEN1CASP3 | |
| SCHEMBL11210857 | 0.83 | MEN1 (0.56) | NPC1RAB9AKMT2AMEN1CASP3 | |
| SCHEMBL4916635 | 0.80 | ALDH1A1 (0.58) | NPC1RAB9AKMT2AMEN1CASP3 | |
| SCHEMBL2115313 | 0.79 | SLC9A1 (0.44) | NPC1RAB9AKMT2AMEN1CASP3 | |
| SCHEMBL4917181 | 0.76 | MAPT (0.57) | NPC1RAB9AKMT2AMEN1CASP3 | |
| SCHEMBL4909472 | 0.76 | CCNA2 (0.57) | KMT2AMEN1KDM4EMAPTMAPK1 | |
| SCHEMBL1011902 | 0.75 | ALDH1A1 (0.53) | KMT2AMEN1MAPTTSHRTDP1 | |
| SCHEMBL4306213 | 0.74 | KDM4E (0.45) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL3050805 | 0.74 | DYRK1A (0.78) | NPC1RAB9AKMT2AMEN1POLB | |
| SCHEMBL4908804 | 0.74 | RAB9A (0.60) | NPC1RAB9AKMT2AMEN1POLB |
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-3130589-A1 | HETEROCYCLIC AZA COMPOUNDS | Grünenthal GmbH (DE) | 2017-02-15 | — | — | EP | claimed |