Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 9/20 | 0.41 |
| ▸ | MMP12 | P39900 | 9/20 | 0.41 |
| ▸ | MMP13 | P45452 | 9/20 | 0.41 |
| ▸ | MMP14 | P50281 | 9/20 | 0.41 |
| ▸ | MMP8 | P22894 | 8/20 | 0.41 |
| ▸ | MMP16 | P51512 | 8/20 | 0.41 |
| ▸ | MMP9 | P14780 | 8/20 | 0.41 |
| ▸ | MMP1 | P03956 | 7/20 | 0.41 |
| ▸ | MMP3 | P08254 | 7/20 | 0.41 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.38 |
| ▸ | ICMT | O60725 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2655044 | 0.84 | MEN1 (0.43) | MMP2MMP12MMP13MMP14MMP8 | |
| SCHEMBL167924 | 0.84 | MMP2 (0.57) | MMP2MMP12MMP13MMP14MMP8 | |
| Hydrochloric Acid SCHEMBL6647677 | 0.82 | MEN1 (0.43) | MMP2MMP12MMP13MMP14MMP8 | |
| SCHEMBL18281576 | 0.81 | TTR (0.43) | MMP2MMP12MMP13MMP14MMP8 | |
| SCHEMBL4749786 | 0.81 | CA1 (0.49) | MMP2MMP12MMP13MMP14MMP8 | |
| SCHEMBL20565283 | 0.80 | MMP2 (0.41) | MMP2MMP12MMP13MMP14MMP8 | |
| SCHEMBL11324205 | 0.79 | PTGDR2 (0.45) | MMP2MMP12MMP13MMP14MMP8 | |
| SCHEMBL10179924 | 0.78 | CTSB (0.53) | PSIP1CTSBMAPTHSD11B1KMT2A | |
| SCHEMBL168171 | 0.78 | PKM (0.49) | MMP2MMP12MMP13MMP14MMP8 | |
| SCHEMBL4598904 | 0.77 | PSIP1 (0.45) | PSIP1CTSBCA1CA2CYP2C9 |
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-108689942-A | Nitrogenous dicyclic compound and its preparation method and application | 广东东阳光药业有限公司 | 2018-10-23 | — | — | CN | disclosed |