Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | MMP12 | P39900 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | HTR5A | P47898 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.43 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.43 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.43 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7428888 | 1.00 | MAPT (0.58) | MAPTCA9MMP12EPHX2MAPK1 | |
| SCHEMBL15241838 | 0.96 | MAPT (0.53) | MAPTCA9MMP12EPHX2MAPK1 | |
| SCHEMBL1025832 | 0.89 | CA9 (0.62) | CA9MMP12EPHX2HTR5ANPC1 | |
| SCHEMBL29754317 | 0.89 | CA9 (0.62) | CA9MMP12EPHX2HTR5ANPC1 | |
| SCHEMBL8206503 | 0.86 | MAPT (0.58) | MAPTMMP12EPHX2MAPK1RAB9A | |
| SCHEMBL10274553 | 0.82 | MAPT (0.53) | MAPTMMP12EPHX2MAPK1HTR5A | |
| SCHEMBL7505614 | 0.80 | MAPT (0.59) | MAPTCA9HTR5AMEN1KMT2A | |
| SCHEMBL278958 | 0.79 | AHR (0.61) | MMP12EPHX2HTR5ARAB9ABRD4 | |
| SCHEMBL4462879 | 0.79 | MAPT (0.58) | MAPTCA9KMT2ANPC1MAPK13 | |
| SCHEMBL2429992 | 0.79 | CMA1 (0.66) | MAPTCA9RAB9AMEN1KMT2A |
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-115974850-B | Compound serving as AKR1C3 inhibitor as well as preparation method and application thereof | 中国药科大学 | 2024-08-06 | — | — | CN | disclosed |
| CN-115974850-A | Compound serving as AKR1C3 inhibitor and preparation method and application thereof | 中国药科大学 | 2023-04-18 | — | — | CN | disclosed |