Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | MMP2 | P08253 | 4/20 | 0.56 |
| ▸ | MMP9 | P14780 | 3/20 | 0.56 |
| ▸ | MMP8 | P22894 | 3/20 | 0.56 |
| ▸ | MMP1 | P03956 | 3/20 | 0.54 |
| ▸ | MMP3 | P08254 | 3/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14198796 | 1.00 | ALDH1A1 (0.64) | ALDH1A1MMP2MMP9MMP8MMP1 | |
| SCHEMBL251692 | 0.85 | ALDH1A1 (0.67) | ALDH1A1MMP2MMP9MMP8 | |
| SCHEMBL18762548 | 0.83 | MMP2 (0.56) | ALDH1A1MMP2MMP9MMP8MMP1 | |
| SCHEMBL28364562 | 0.83 | MMP2 (0.56) | ALDH1A1MMP2MMP9MMP8MMP1 | |
| SCHEMBL19545981 | 0.82 | MMP1 (0.53) | ALDH1A1MMP2MMP9MMP8MMP1 | |
| SCHEMBL21895921 | 0.82 | MMP2 (0.58) | ALDH1A1MMP2MMP9MMP8MMP1 | |
| SCHEMBL26131446 | 0.81 | MMP9 (0.50) | ALDH1A1MMP2MMP9MMP8MMP1 | |
| SCHEMBL12226978 | 0.80 | MMP9 (0.51) | ALDH1A1MMP2MMP9MMP8MMP1 | |
| SCHEMBL13822102 | 0.80 | ALDH1A1 (0.72) | ALDH1A1MMP1MEN1LMNAKMT2A | |
| SCHEMBL8777100 | 0.80 | ALDH1A1 (0.72) | ALDH1A1MMP1MEN1LMNAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021115335-A1 | COMPOUND AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR AND USE THEREOF | 石药集团中奇制药技术（石家庄）有限公司 | 2021-06-17 | — | — | WO | disclosed |