Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.52 |
| ▸ | MAPT | P10636 | 6/20 | 0.52 |
| ▸ | HPGD | P15428 | 6/20 | 0.52 |
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.52 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.52 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.52 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | POLB | P06746 | 4/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | MITF | O75030 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30114661 | 1.00 | ALDH1A1 (0.52) | ALDH1A1MAPTHPGDLMNASMN1; SMN2 | |
| SCHEMBL26401575 | 0.88 | ALDH1A1 (0.51) | ALDH1A1MAPTHPGDLMNASMN1; SMN2 | |
| SCHEMBL216351 | 0.83 | ALDH1A1 (0.55) | ALDH1A1MAPTHPGDLMNASMN1; SMN2 | |
| SCHEMBL28029191 | 0.83 | ALDH1A1 (0.49) | ALDH1A1MAPTHPGDLMNASMN1; SMN2 | |
| SCHEMBL23294948 | 0.83 | TSHR (0.51) | ALDH1A1MAPTSMN1; SMN2MAPK1MEN1 | |
| SCHEMBL29588719 | 0.83 | TSHR (0.51) | ALDH1A1MAPTSMN1; SMN2MAPK1MEN1 | |
| SCHEMBL7897849 | 0.83 | ABCB1 (0.61) | ALDH1A1MAPTHPGDLMNASMN1; SMN2 | |
| SCHEMBL2418253 | 0.82 | ALDH1A1 (0.54) | ALDH1A1MAPTHPGDLMNASMN1; SMN2 | |
| SCHEMBL30402800 | 0.82 | ALDH1A1 (0.50) | ALDH1A1MAPTHPGDSMN1; SMN2MAPK1 | |
| SCHEMBL26401595 | 0.82 | ALDH1A1 (0.50) | ALDH1A1MAPTHPGDSMN1; SMN2MAPK1 |
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-113429410-B | Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof | 上海海雁医药科技有限公司 | 2022-10-04 | — | — | CN | disclosed |
| CN-113429410-A | Polyheterocyclic substituted pyrimidine or pyridylamine derivatives, compositions and medical uses thereof | 上海海雁医药科技有限公司 | 2021-09-24 | — | — | CN | disclosed |