Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | FPR2 | P25090 | 5/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | FPR3 | P25089 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28487447 | 1.00 | EPHX2 (0.45) | EPHX2HDAC8FPR2NPC1RAB9A | |
| SCHEMBL29218635 | 0.86 | EPHX2 (0.40) | EPHX2HDAC8NPC1RAB9AKMT2A | |
| SCHEMBL29218716 | 0.86 | ALDH1A1 (0.43) | EPHX2HDAC8NPC1RAB9AEPHX1 | |
| SCHEMBL29218851 | 0.85 | POLB (0.46) | EPHX2HDAC8NPC1RAB9AEPHX1 | |
| SCHEMBL29218677 | 0.84 | HDAC3 (0.39) | HDAC8 | |
| SCHEMBL29218717 | 0.81 | EPHX1 (0.44) | EPHX2NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL29218694 | 0.81 | HDAC8 (0.41) | HDAC8NPC1RAB9A | |
| SCHEMBL28493001 | 0.80 | HCAR3 (0.48) | NPC1RAB9AKMT2AMEN1 | |
| SCHEMBL29218821 | 0.80 | LTA4H (0.50) | NPC1RAB9AEPHX1 | |
| SCHEMBL29218593 | 0.79 | KCNQ3 (0.47) | EPHX2NPC1RAB9AKMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024222726-A1 | DEGRADATION AGENT FOR CYCLIN-DEPENDENT KINASE (CDK) 12/13, COMPOSITION AND USE THEREOF | 浙江大学 | 2024-10-31 | — | — | WO | disclosed |
| CN-118076581-A | Iron death modulators, their preparation and use | 维泰瑞隆有限公司 | 2024-05-24 | — | — | CN | disclosed |
| CN-116675731-A | Small molecule conjugate of targeted cyclin-dependent kinase 12/13 and application thereof | 浙江大学 | 2023-09-01 | — | — | CN | disclosed |