Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 9/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 6/20 | 0.36 |
| ▸ | CA9 | Q16790 | 6/20 | 0.36 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9989117 | 0.81 | GBA1 (0.43) | GBA1CA2ALDH1A1KDM4ECA1 | |
| SCHEMBL15612266 | 0.78 | GBA1 (0.37) | GBA1CA2ALDH1A1KDM4EADRA2A | |
| SCHEMBL16180689 | 0.78 | GBA1 (0.41) | GBA1ALDH1A1KDM4EGRM2LMNA | |
| SCHEMBL29597062 | 0.77 | NOS3 (0.42) | CA2ALDH1A1KDM4ECA1CA9 | |
| SCHEMBL21827084 | 0.77 | HTR2A (0.41) | CA2CA1CA9CA5ACA12 | |
| SCHEMBL21826791 | 0.77 | KDM4E (0.44) | CA2KDM4ECA1CA9CA5A | |
| SCHEMBL28649394 | 0.77 | NOS3 (0.42) | CA2ALDH1A1KDM4ECA1CA9 | |
| SCHEMBL31419110 | 0.77 | GBA1 (0.40) | GBA1ALDH1A1KDM4EGRM2LMNA | |
| SCHEMBL1662137 | 0.77 | GBA1 (0.40) | GBA1ALDH1A1KDM4EGRM2LMNA | |
| SCHEMBL21767155 | 0.74 | APLNR (0.39) | GBA1CA2ALDH1A1KDM4EADRA2A |
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-111349043-B | Intermediate for preparing pimenib and preparation method and application thereof | 上海医药工业研究院 | 2022-09-27 | — | — | CN | disclosed |
| CN-111349043-A | Intermediate for preparing pimenib and preparation method and application thereof | 上海医药工业研究院 | 2020-06-30 | — | — | CN | disclosed |