Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PLK1 | P53350 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7922195 | 0.91 | ADORA2A (0.37) | ADORA2AADORA1L3MBTL1ALDH1A1NPSR1 | |
| SCHEMBL27478872 | 0.80 | ALDH1A1 (0.35) | ALDH1A1NPSR1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL27478874 | 0.80 | RAB9A (0.37) | ALDH1A1SMN1; SMN2MAPTTP53KDM4E | |
| SCHEMBL27494961 | 0.77 | — | — | |
| SCHEMBL27479658 | 0.75 | KDM4E (0.33) | ALDH1A1MAPTKDM4E | |
| SCHEMBL27478044 | 0.75 | NPC1 (0.35) | ALDH1A1NPSR1MAPTKDM4EGAA | |
| Oxalic Acid SCHEMBL7920408 | 0.73 | HTR1D (0.52) | ALDH1A1HPGDMAPTTP53KDM4E | |
| SCHEMBL7922225 | 0.71 | NR1H4 (0.39) | L3MBTL1ALDH1A1NPSR1SMN1; SMN2MAPT | |
| SCHEMBL27478043 | 0.71 | HDAC4 (0.35) | NTRK1KDM4E | |
| SCHEMBL30161783 | 0.71 | KDM4E (0.33) | ALDH1A1HPGDSMN1; SMN2MAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1001766-A4 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORP (US) | 2001-04-04 | — | — | EP | disclosed |
| EP-1001766-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999001127-A1 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-01-14 | — | — | WO | disclosed |