Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NSD2 | O96028 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30957326 | 0.86 | NPC1 (0.56) | ALPLNPC1TSHRRAB9AMEN1 | |
| SCHEMBL11996641 | 0.80 | ACHE (0.50) | NPC1TSHRRAB9AMEN1KMT2A | |
| SCHEMBL29015008 | 0.80 | CYP1A1 (0.58) | NPC1TSHRRAB9AMEN1KMT2A | |
| SCHEMBL27764911 | 0.79 | HSP90AA1 (0.48) | ALPLNPC1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL8842460 | 0.77 | MEN1 (0.50) | NPC1TSHRRAB9AMEN1KMT2A | |
| SCHEMBL11994404 | 0.76 | ALDH1A1 (0.46) | SMN1; SMN2CLK4ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL1199245 | 0.76 | ALOX5AP (0.43) | HTTPKMCYP1A2GAA | |
| SCHEMBL16790012 | 0.75 | CYP1A2 (0.62) | NPC1TSHRRAB9AMEN1KMT2A | |
| SCHEMBL21412313 | 0.74 | TP53 (0.39) | NPC1TSHRRAB9AMEN1KMT2A | |
| SCHEMBL29378185 | 0.74 | TP53 (0.39) | NPC1TSHRRAB9AMEN1KMT2A |
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-101585814-B | Aryl pyrimidine ortho-single halogen substituted compound and synthetic method thereof | UNIV SHANGHAI SCIENCE & TECH | 2011-08-10 | — | — | CN | disclosed |
| CN-101585814-A | Aryl pyrimidine ortho-single halogen substituted compound and synthetic method thereof | UNIV SHANGHAI SCIENCE & TECH (CN) | 2009-11-25 | — | — | CN | disclosed |