Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | SCD | O00767 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | SRC | P12931 | 1/20 | 0.30 |
| ▸ | CDK2 | P24941 | 1/20 | 0.30 |
| ▸ | ZAP70 | P43403 | 1/20 | 0.30 |
| ▸ | SYK | P43405 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18568721 | 0.88 | KDM4E (0.42) | NPC1ALDH1A1SMN1; SMN2SCDKDM4E | |
| SCHEMBL18568895 | 0.84 | CCR4 (0.33) | ALDH1A1KDM4EMAPT | |
| SCHEMBL18568638 | 0.84 | NPSR1 (0.46) | RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL18568998 | 0.83 | KDM4E (0.44) | RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL18568949 | 0.82 | SRC (0.31) | RAB9ANPC1ALDH1A1SMN1; SMN2SRC | |
| SCHEMBL18568614 | 0.80 | METAP1 (0.34) | RAB9ANPC1ALDH1A1SMN1; SMN2SYK | |
| SCHEMBL18568837 | 0.80 | RAB9A (0.42) | RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL1653159 | 0.78 | NFKBIA (0.45) | NPC1ALDH1A1KDM4ELMNA | |
| SCHEMBL18568884 | 0.78 | — | — | |
| SCHEMBL18568875 | 0.77 | — | — |
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-2308839-B1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICALS CO (JP) | 2017-03-01 | — | — | EP | disclosed |