Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | SHBG | P04278 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | GBA1 | P04062 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | CDC25A | P30304 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25692572 | 1.00 | CA1 (0.41) | CA1CA2CA4SHBGKDM4E | |
| SCHEMBL4840529 | 1.00 | CA1 (0.41) | CA1CA2CA4SHBGKDM4E | |
| SCHEMBL4847122 | 0.98 | CA1 (0.40) | CA1CA2CA4SHBGKDM4E | |
| SCHEMBL4844949 | 0.98 | CA1 (0.40) | CA1CA2CA4SHBGKDM4E | |
| SCHEMBL4845164 | 0.95 | CA1 (0.37) | CA1CA2CA4SHBGKDM4E | |
| SCHEMBL12886104 | 0.95 | CA1 (0.37) | CA1CA2CA4SHBGKDM4E | |
| SCHEMBL13104323 | 0.95 | CA1 (0.37) | CA1CA2CA4SHBGKDM4E | |
| SCHEMBL18638209 | 0.82 | CA1 (0.43) | CA1CA2CA4TSHRCDC25A | |
| SCHEMBL12069650 | 0.82 | CA1 (0.43) | CA1CA2CA4TSHRCDC25A | |
| SCHEMBL2307844 | 0.81 | GBA1 (0.34) | CA1CA2CA4SHBGKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-9586931-B2 | Triazolyl derivatives as Syk inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-03-07 | — | — | US | disclosed |