Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MPO | P05164 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 3/20 | 0.31 |
| ▸ | CA1 | P00915 | 3/20 | 0.31 |
| ▸ | CA2 | P00918 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2993431 | 0.78 | ALDH1A1 (0.43) | HSD11B1CYP3A4TDP1ALDH1A1MAPK1 | |
| SCHEMBL11296691 | 0.70 | ALDH1A1 (0.36) | HSD11B1CYP3A4TDP1ALDH1A1MAPK1 | |
| SCHEMBL3030207 | 0.68 | TDP1 (0.48) | CYP3A4TDP1ALDH1A1MAPK1TP53 | |
| SCHEMBL1916178 | 0.66 | ALDH1A1 (0.52) | CYP3A4TDP1ALDH1A1MAPK1TP53 | |
| SCHEMBL28547556 | 0.65 | TSHR (0.41) | CYP3A4TDP1ALDH1A1MAPK1TP53 | |
| SCHEMBL7850305 | 0.64 | MMP2 (0.39) | CYP3A4TDP1ALDH1A1MAPK1TP53 | |
| SCHEMBL4241968 | 0.62 | SMN1; SMN2 (0.39) | CYP3A4TDP1ALDH1A1MAPK1TP53 | |
| SCHEMBL20389164 | 0.61 | ESR1 (0.61) | HSD11B1CYP3A4TDP1ALDH1A1L3MBTL1 | |
| SCHEMBL2991577 | 0.60 | CYP3A4 (0.39) | HSD11B1CYP3A4TDP1ALDH1A1MAPK1 | |
| SCHEMBL5109986 | 0.60 | PSIP1 (0.44) | KDM4ECA12CA1CA2CA9 |
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-115052663-A | ALK5 inhibitor conjugates and uses thereof | 辛瑟斯治疗股份有限公司 | 2022-09-13 | — | — | CN | disclosed |