Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.37 |
| ▸ | FDPS | P14324 | 1/20 | 0.36 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.35 |
| ▸ | ABAT | P80404 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28118092 | 0.85 | ALDH1A1 (0.35) | ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL27936928 | 0.81 | ESR1 (0.42) | ALDH1A1KDM4ESMN1; SMN2ALDH5A1ABAT | |
| SCHEMBL7982148 | 0.81 | ALDH1A1 (0.44) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1FDPS | |
| SCHEMBL7282981 | 0.79 | SYK (0.40) | ALDH1A1KDM4EMEN1KMT2AMAPT | |
| SCHEMBL27767221 | 0.79 | GBA1 (0.38) | ALDH1A1KDM4EMEN1KMT2ATSHR | |
| SCHEMBL28139174 | 0.79 | CA12 (0.36) | KDM4EMEN1KMT2A | |
| SCHEMBL28089027 | 0.79 | GRM2 (0.37) | ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A | |
| SCHEMBL20083690 | 0.78 | ALDH1A1 (0.41) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1KCNJ1 | |
| SCHEMBL509978 | 0.77 | ALDH1A1 (0.64) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1MEN1 | |
| SCHEMBL20431526 | 0.77 | ALDH1A1 (0.41) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1KCNJ1 |
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-109890821-A | Amino-pyrrolopyrimidine ketone compound and its application method | 艾科尔公司 | 2019-06-14 | — | — | CN | disclosed |
| CN-109071468-A | Heterocyclic compound and preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2018-12-21 | — | — | CN | disclosed |