Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | PMM2 | O15305 | 1/20 | 0.37 |
| ▸ | MPI | P34949 | 1/20 | 0.37 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31370785 | 1.00 | KMT2A (0.39) | KMT2AMEN1NPY1RCA2CA1 | |
| SCHEMBL27985235 | 0.84 | CA2 (0.53) | KMT2AMEN1NPY1RCA2CA1 | |
| SCHEMBL31370978 | 0.84 | CA2 (0.53) | KMT2AMEN1NPY1RCA2CA1 | |
| SCHEMBL29699669 | 0.82 | TDP1 (0.42) | KMT2AMEN1NPY1RCA2CA1 | |
| SCHEMBL27020302 | 0.82 | KMT2A (0.39) | KMT2AMEN1CA2CA1ALDH1A1 | |
| SCHEMBL29221420 | 0.81 | KMT2A (0.38) | KMT2AMEN1CA2CA1ALDH1A1 | |
| SCHEMBL4838213 | 0.80 | KMT2A (0.40) | KMT2AMEN1CA2CA1ALDH1A1 | |
| SCHEMBL9755584 | 0.80 | GPR35 (0.56) | KMT2AMEN1CA2CA1ALDH1A1 | |
| SCHEMBL318287 | 0.80 | GPR35 (0.56) | KMT2AMEN1CA2CA1ALDH1A1 | |
| SCHEMBL318286 | 0.80 | GPR35 (0.56) | KMT2AMEN1CA2CA1ALDH1A1 |
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-104203940-A | Hetero-bicyclic derivatives as HCV inhibitors | JANSSEN R & D IRELAND | 2014-12-10 | — | — | CN | disclosed |