Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 9/20 | 0.50 |
| ▸ | PDGFRB | P09619 | 6/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31122079 | 0.98 | KDR (0.51) | KDRPDGFRBMCL1MEN1KMT2A | |
| SCHEMBL8360588 | 0.98 | KDR (0.51) | KDRPDGFRBMCL1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL28136871 | 0.96 | KDR (0.50) | KDRPDGFRBMCL1MEN1KMT2A | |
| Maleic Acid SCHEMBL28136866 | 0.92 | KDR (0.45) | KDRPDGFRBMCL1MEN1KMT2A | |
| Fumaric Acid SCHEMBL28136873 | 0.92 | KDR (0.45) | KDRPDGFRBMCL1MEN1KMT2A | |
| Succinic Acid SCHEMBL28136152 | 0.92 | OXER1 (0.47) | KDRPDGFRBMEN1KMT2AMAPT | |
| SCHEMBL28136870 | 0.90 | KDR (0.49) | KDRPDGFRBMEN1KMT2AMAPT | |
| SCHEMBL5967722 | 0.85 | MCL1 (0.49) | MCL1MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL30343692 | 0.85 | MCL1 (0.49) | MCL1MEN1KMT2AMAPTALDH1A1 | |
| Malic Acid SCHEMBL28136944 | 0.85 | OXER1 (0.41) | KDRPDGFRBMEN1KMT2AMAPT |
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-106660997-A | Salts of monocyclic pyridine derivatives and crystals thereof | 卫材R&D管理有限公司 | 2017-05-10 | — | — | CN | disclosed |