Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 6/20 | 0.78 |
| ▸ | NPC1 | O15118 | 3/20 | 0.63 |
| ▸ | RAB9A | P51151 | 3/20 | 0.63 |
| ▸ | MEN1 | O00255 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.63 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.59 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 3/20 | 0.57 |
| ▸ | CA12 | O43570 | 2/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA9 | Q16790 | 2/20 | 0.57 |
| ▸ | FPR2 | P25090 | 1/20 | 0.56 |
| ▸ | GOT1 | P17174 | 1/20 | 0.55 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.54 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.54 |
| ▸ | MTOR | P42345 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL29883691 | 1.00 | CNR1 (0.78) | CNR1NPC1RAB9AMEN1MAPT | |
| SCHEMBL28408741 | 0.91 | KMT2A (0.71) | CNR1NPC1RAB9AMEN1MAPT | |
| SCHEMBL4606056 | 0.85 | EPHX1 (0.81) | CNR1NPC1RAB9AMEN1MAPT | |
| SCHEMBL4897395 | 0.84 | CNR1 (0.74) | CNR1NPC1RAB9AMAPTKMT2A | |
| SCHEMBL901955 | 0.82 | NPC1 (0.63) | CNR1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL2827311 | 0.81 | KMT2A (0.72) | CNR1NPC1RAB9AMEN1MAPT | |
| SCHEMBL28411219 | 0.81 | CNR1 (0.69) | CNR1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL29883217 | 0.79 | MAPT (0.71) | RAB9AMEN1MAPTKMT2AHDAC1 | |
| SCHEMBL28882035 | 0.79 | MAPT (0.71) | RAB9AMEN1MAPTKMT2AHDAC1 | |
| SCHEMBL2849248 | 0.79 | MEN1 (0.62) | CNR1NPC1RAB9AMEN1MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115141197-B | 3-aromatic heterocycle substituted phenyl derivative and preparation method and application thereof | 安徽医科大学 | 2024-03-26 | — | — | CN | disclosed |
| CN-115141197-A | 3-aromatic heterocyclic substituted phenyl derivative and preparation method and application thereof | 安徽医科大学 | 2022-10-04 | — | — | CN | disclosed |