Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | VCP | P55072 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27680901 | 0.82 | VCP (0.38) | IDO1MAPTALDH1A1THRBTDP1 | |
| SCHEMBL27685978 | 0.82 | VCP (0.38) | IDO1MAPTALDH1A1THRBTDP1 | |
| SCHEMBL27700080 | 0.81 | PRKACA (0.41) | MAPTALDH1A1KMT2AMEN1 | |
| SCHEMBL27682784 | 0.80 | NPC1 (0.41) | IDO1MAPTALDH1A1RAB9ANPC1 | |
| SCHEMBL27680910 | 0.79 | PDE4D (0.38) | RAB9ANPC1 | |
| SCHEMBL27686021 | 0.76 | ALDH1A1 (0.37) | IDO1MAPTALDH1A1THRBTDP1 | |
| SCHEMBL22089840 | 0.75 | DRD2 (0.41) | — | |
| SCHEMBL5058415 | 0.75 | DRD2 (0.59) | MAPTALDH1A1TDP1KMT2AMEN1 | |
| SCHEMBL29441685 | 0.73 | NPC1 (0.52) | IDO1MAPTALDH1A1THRBTDP1 | |
| SCHEMBL1262545 | 0.73 | NPC1 (0.52) | IDO1MAPTALDH1A1THRBTDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101010318-A | 2,4, 6-trisubstituted pyrimidines as Phosphatidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer | ASTRAZENECA AB (SE) | 2007-08-01 | — | — | CN | disclosed |
| CN-101010317-A | 2, 4,6-trisubstituted pyrimidines as phosphotidylinositol (pi) 3-kinase inhibitors and their use in the treatment of cancer | ASTRAZENECA AB (SE) | 2007-08-01 | — | — | CN | disclosed |