Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | MIF | P14174 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.41 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | 0.87 | MEN1 (0.50) | ALDH1A1KMT2ACA2KDM4EHPGD | |
| SCHEMBL3417401 | 0.87 | MEN1 (0.50) | ALDH1A1KMT2ACA2KDM4EHPGD | |
| SCHEMBL11928961 | 0.83 | MIF (0.45) | ALDH1A1KMT2AMIFCYP1A2KDM4E | |
| SCHEMBL4305863 | 0.83 | MIF (0.45) | ALDH1A1KMT2AMIFCYP1A2KDM4E | |
| SCHEMBL4304419 | 0.83 | MIF (0.45) | ALDH1A1KMT2AMIFCYP1A2KDM4E | |
| SCHEMBL14079386 | 0.83 | MEN1 (0.49) | ALDH1A1KMT2ASMN1; SMN2MEN1MAPT | |
| SCHEMBL29033274 | 0.82 | NPC1 (0.47) | ALDH1A1KMT2ACYP1A2KDM4EGAA | |
| SCHEMBL29033257 | 0.80 | CNR2 (0.50) | ALDH1A1KMT2AKDM4EGAAHPGD | |
| SCHEMBL4601574 | 0.79 | NR1H4 (0.59) | ALDH1A1KMT2ACA12CA1CA2 | |
| SCHEMBL4601573 | 0.79 | NR1H4 (0.59) | ALDH1A1KMT2ACA12CA1CA2 |
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 |