Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 4/20 | 0.58 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | KMO | O15229 | 6/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16625771 | 0.79 | CLK4 (0.61) | NPC1RAB9AMAPTSMN1; SMN2TP53 | |
| SCHEMBL29637614 | 0.77 | CLK4 (0.54) | NPC1RAB9AMAPTSMN1; SMN2TP53 | |
| SCHEMBL29637612 | 0.77 | CLK4 (0.54) | NPC1RAB9AMAPTSMN1; SMN2TP53 | |
| SCHEMBL29637613 | 0.77 | CLK4 (0.54) | NPC1RAB9AMAPTSMN1; SMN2TP53 | |
| SCHEMBL137915 | 0.76 | AHR (1.00) | AHRCYP1B1KMONPC1RAB9A | |
| SCHEMBL29769221 | 0.76 | AHR (1.00) | AHRCYP1B1KMONPC1RAB9A | |
| SCHEMBL6685962 | 0.76 | CLK4 (0.64) | NPC1RAB9AMAPTSMN1; SMN2TP53 | |
| SCHEMBL29493845 | 0.75 | AHR (0.74) | AHRCYP1B1KMOALDH1A1 | |
| SCHEMBL13364856 | 0.75 | CYP19A1 (0.53) | NPC1RAB9AMAPTSMN1; SMN2MAPK1 | |
| SCHEMBL1443418 | 0.75 | AHR (0.74) | AHRCYP1B1KMOALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106496127-B | A kind of preparation method of polysubstituted pyrimidine | 苏州大学 | 2019-09-27 | — | — | CN | disclosed |