Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.46 |
| ▸ | HPGD | P15428 | 7/20 | 0.46 |
| ▸ | LMNA | P02545 | 6/20 | 0.46 |
| ▸ | HTT | P42858 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| SCHEMBL16105004 | 0.87 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL16094539 | 0.80 | ALDH1A1 (0.49) | ALDH1A1L3MBTL1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL7930938 | 0.79 | LMNA (0.41) | KDM4ELMNACDK1 | |
| SCHEMBL2685269 | 0.72 | RAB9A (0.49) | ALDH1A1L3MBTL1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL7939940 | 0.71 | CHRM4 (0.50) | ALDH1A1SMN1; SMN2KDM4EHPGDLMNA | |
| SCHEMBL1936518 | 0.70 | ALDH1A1 (0.71) | ALDH1A1L3MBTL1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL20164561 | 0.70 | CYP1A2 (0.44) | ALDH1A1L3MBTL1LMNAMAPTGAA | |
| SCHEMBL9049572 | 0.70 | CDK1 (0.50) | ALDH1A1L3MBTL1SMN1; SMN2HPGDRAB9A | |
| SCHEMBL7939938 | 0.69 | YTHDC1 (0.49) | — | |
| SCHEMBL2059480 | 0.69 | SMN1; SMN2 (0.47) | ALDH1A1L3MBTL1SMN1; SMN2KDM4EHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-6232312-B1 | ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER | CELL PATHWAYS, INC. | 2001-05-15 | — | — | US | disclosed |