Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.47 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.47 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.39 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3417403 | 0.85 | MEN1 (0.50) | NPC1RAB9AKMT2AKDM4EMEN1 | |
| SCHEMBL3417401 | 0.85 | MEN1 (0.50) | NPC1RAB9AKMT2AKDM4EMEN1 | |
| SCHEMBL29033271 | 0.82 | ALDH1A1 (0.45) | NPC1RAB9AKMT2AGAAKDM4E | |
| SCHEMBL29033257 | 0.81 | CNR2 (0.50) | NPC1RAB9AKMT2AGAAKDM4E | |
| SCHEMBL28349978 | 0.77 | NPC1 (0.50) | NPC1CASP3SENP8SENP7SENP6 | |
| SCHEMBL29033251 | 0.75 | USP2 (0.47) | NPC1RAB9AKMT2AGAAKDM4E | |
| SCHEMBL29033273 | 0.74 | NPC1 (0.47) | NPC1CASP3SENP8SENP7SENP6 | |
| SCHEMBL8871419 | 0.74 | NPC1 (0.55) | NPC1CASP3SENP8SENP7SENP6 | |
| SCHEMBL29033187 | 0.74 | TNF (0.45) | NPC1RAB9AKMT2AMEN1LMNA | |
| SCHEMBL28364014 | 0.74 | NPC1 (0.50) | NPC1CASP3SENP8SENP7SENP6 |
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-116410192-A | 2, 3-polysubstituted indolizine with a plurality of chiral centers, derivatives thereof, preparation method and application thereof | 武汉大学 | 2023-07-11 | — | — | CN | disclosed |