Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 7/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NSD2 | O96028 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30379627 | 1.00 | CA12 (0.49) | CA12CA2CA9MAPTMEN1 | |
| SCHEMBL21600939 | 0.81 | CYP1A2 (0.48) | MAPTMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL30379700 | 0.81 | CYP1A2 (0.48) | MAPTMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL16982690 | 0.81 | KDM4E (0.56) | MAPTMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL29048563 | 0.76 | CA12 (0.68) | CA12CA2CA9MAPTMEN1 | |
| SCHEMBL21600856 | 0.74 | KDM4E (0.49) | MAPTMEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL30380072 | 0.74 | KDM4E (0.49) | MAPTMEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL31201561 | 0.72 | CA12 (0.57) | CA12CA2CA9MAPTMEN1 | |
| SCHEMBL21617379 | 0.71 | NPC1 (0.49) | MAPTMEN1KMT2AKDM4EHTT | |
| SCHEMBL25168109 | 0.71 | RAB9A (0.57) | CA12CA2CA9MAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019242689-A1 | CYANO-SUBSTITUTED PYRIDINE AND CYANO-SUBSTITUTED PYRIMIDINE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2019-12-26 | — | — | WO | disclosed |