Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 3/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | TP53 | P04637 | 2/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28897434 | 0.88 | KDR (0.49) | KDRKMT2ATP53HDAC6NPC1 | |
| SCHEMBL28434027 | 0.86 | KDR (0.63) | KDRKMT2ATP53HDAC6NPC1 | |
| SCHEMBL28416079 | 0.84 | KDR (0.62) | KDRKMT2ATP53HDAC6NPC1 | |
| SCHEMBL23360257 | 0.84 | KMT2A (0.74) | KDRKMT2ATP53HDAC6NPC1 | |
| SCHEMBL29862819 | 0.84 | KMT2A (0.74) | KDRKMT2ATP53HDAC6NPC1 | |
| SCHEMBL28419837 | 0.82 | ATM (0.54) | KMT2ATP53MEN1ALDH1A1MAPT | |
| SCHEMBL28676976 | 0.81 | KDR (0.58) | KDRKMT2ATP53HDAC6NPC1 | |
| SCHEMBL28510851 | 0.81 | SLC40A1 (0.59) | KDRKMT2ATP53HDAC6NPC1 | |
| SCHEMBL28154676 | 0.79 | KDM4E (0.59) | KDRKMT2ATP53HDAC6NPC1 | |
| SCHEMBL28424154 | 0.79 | TOP2A (0.49) | KMT2ATP53RAB9AMEN1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115925685-B | Triheteroaryltertiary amine and synthesis method thereof | 南昌大学 | 2023-05-16 | — | — | CN | disclosed |
| CN-115925685-A | Tri-heteroaryl tertiary amine and synthesis method thereof | 南昌大学 | 2023-04-07 | — | — | CN | disclosed |
| CN-111320579-B | Preparation method of 8-amide-5-halogenated quinoline derivative | 常州工程职业技术学院 | 2021-06-29 | — | — | CN | disclosed |
| CN-111320579-A | Preparation method of 8-amide-5-halogenated quinoline derivative | 常州工程职业技术学院 | 2020-06-23 | — | — | CN | disclosed |