Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 11/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | G6PD | P11413 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17754284 | 0.75 | ESR2 (0.35) | ESR1ESR2MEN1NPC1RAB9A | |
| SCHEMBL27704603 | 0.75 | KDM4E (0.44) | ESR1ESR2KDM4ECYP1A2CYP2D6 | |
| SCHEMBL2830279 | 0.74 | HSD17B1 (0.38) | ESR1ESR2TP53TDP1ALDH1A1 | |
| SCHEMBL22238273 | 0.72 | ESR1 (0.32) | ESR1ESR2TP53TDP1 | |
| SCHEMBL2718567 | 0.70 | ESR2 (0.41) | ESR1ESR2TP53TDP1PDE10A | |
| SCHEMBL6758132 | 0.70 | TP53 (0.39) | ESR1ESR2TP53TDP1PDE10A | |
| SCHEMBL14048659 | 0.68 | TP53 (0.45) | ESR1ESR2TP53TDP1PDE10A | |
| SCHEMBL27991830 | 0.68 | TP53 (0.37) | ESR1ESR2TP53TDP1PDE10A | |
| SCHEMBL930211 | 0.67 | QDPR (0.52) | ESR1ESR2TP53TDP1PDE10A | |
| SCHEMBL31574437 | 0.67 | TP53 (0.48) | ESR1ESR2TP53TDP1PDE10A |
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-2275413-B1 | 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders | NOVARTIS AG (CH) | 2013-03-06 | — | — | EP | disclosed |