Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 2/20 | 0.61 |
| ▸ | ESR1 | P03372 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.51 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | CDK8 | P49336 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL17664180 | 1.00 | IDH1 (0.61) | IDH1ESR1NPC1RAB9AEPHX1 | |
| SCHEMBL22803968 | 0.90 | ESR1 (0.62) | IDH1ESR1NPC1RAB9AEPHX1 | |
| SCHEMBL17664179 | 0.90 | IDH1 (0.74) | IDH1ESR1NPC1RAB9AMAPT | |
| SCHEMBL23925616 | 0.89 | ESR1 (0.68) | IDH1ESR1RAB9AMAPTCA12 | |
| SCHEMBL22803696 | 0.85 | NPC1 (0.67) | NPC1RAB9AEPHX1MAPTMAOA | |
| SCHEMBL31668688 | 0.84 | MAOA (0.66) | NPC1RAB9AEPHX1MAPTMAOA | |
| SCHEMBL17664226 | 0.83 | IDH1 (0.51) | IDH1ESR1NPC1RAB9AEPHX1 | |
| SCHEMBL22803872 | 0.82 | ESR1 (0.62) | IDH1ESR1NPC1RAB9ACA12 | |
| SCHEMBL22803987 | 0.81 | ESR1 (0.61) | IDH1ESR1MAPTCA12CA1 | |
| SCHEMBL25120840 | 0.81 | ESR1 (0.61) | IDH1ESR1TRPV1MAOAKMT2A |
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-111704714-B | Benzo five-membered and six-membered cyclic (thio) urea catalyst and application thereof in ring-opening polymerization | 浙江大学 | 2023-08-04 | — | — | CN | disclosed |