Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | KIT | P10721 | 2/20 | 0.52 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | CNR1 | P21554 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | RORA | P35398 | 1/20 | 0.49 |
| ▸ | RORC | P51449 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.49 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL17936025 | 0.88 | RAB9A (0.60) | KMT2ANPC1RAB9AMAPTKIT | |
| SCHEMBL15907177 | 0.86 | KMT2A (0.59) | KMT2ANPC1RAB9AMAPTPOLB | |
| SCHEMBL15907178 | 0.86 | BCAT2 (0.54) | KMT2ANPC1RAB9AMAPTKIT | |
| SCHEMBL20129494 | 0.84 | SMN1; SMN2 (0.55) | KMT2ANPC1RAB9AMAPTPOLB | |
| SCHEMBL19500741 | 0.82 | LCK (0.65) | KMT2ARAB9AMAPTKITDDR1 | |
| SCHEMBL2622770 | 0.81 | KMT2A (0.76) | KMT2ANPC1RAB9AMAPTTP53 | |
| SCHEMBL15907207 | 0.79 | KMT2A (0.53) | KMT2ANPC1RAB9AMAPTTP53 | |
| SCHEMBL17936107 | 0.79 | KCNK3 (0.64) | KMT2ANPC1RAB9AMAPTTP53 | |
| SCHEMBL16250589 | 0.79 | KIT (0.67) | KMT2ANPC1RAB9AMAPTKIT | |
| SCHEMBL22854377 | 0.78 | KIT (0.42) | KMT2ANPC1RAB9AMAPTKIT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111484482-B | Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof | 北京赛特明强医药科技有限公司 | 2022-06-21 | — | — | CN | disclosed |
| WO-2020156283-A1 | ALKYNYLPYRIMIDINE OR ALKYNYLPYRIDINE COMPOUND, AND COMPOSITION AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2020-08-06 | — | — | WO | disclosed |
| CN-111484482-A | Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof | 北京赛特明强医药科技有限公司 | 2020-08-04 | — | — | CN | disclosed |