Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.46 |
| ▸ | RELA | Q04206 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | STAT1 | P42224 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21345831 | 0.86 | NPC1 (0.48) | KDM4ENPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL20199701 | 0.83 | POLB (0.47) | KDM4ENPC1RAB9AALDH1A1MAPT | |
| SCHEMBL21331463 | 0.83 | GSK3A (0.63) | KDM4ENPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL20199397 | 0.82 | KDM4E (0.60) | KDM4ENPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL21948230 | 0.72 | KDM4E (0.53) | KDM4ENPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL21331457 | 0.71 | ALDH1A1 (0.49) | KDM4ENPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL20689018 | 0.71 | KDM4E (0.52) | KDM4ENPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL25162487 | 0.70 | KDM4E (0.63) | KDM4ENPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL30398502 | 0.70 | TSHR (0.47) | KDM4ENPC1RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL4794157 | 0.69 | KDM4E (0.61) | KDM4ENPC1RAB9AALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018098411-A1 | GSK-3 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-31 | — | — | WO | disclosed |