Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | CA9 | Q16790 | 2/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CTSD | P07339 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18493202 | 0.83 | KMT2A (0.50) | CA1CA2CA12CA7CA9 | |
| SCHEMBL21033759 | 0.81 | CA12 (0.46) | CA1CA2CA12CA7CA9 | |
| SCHEMBL30040199 | 0.81 | CA12 (0.46) | CA1CA2CA12CA7CA9 | |
| 1,2-Dimethoxybenzene SCHEMBL28118612 | 0.79 | CA1 (0.72) | CA1CA2CA12CA7CA9 | |
| SCHEMBL4447301 | 0.78 | KMT2A (0.49) | CA1CA2CA12CA7CA9 | |
| SCHEMBL1818709 | 0.75 | KMT2A (0.44) | CA1CA2CA12CA7CA9 | |
| SCHEMBL11023514 | 0.74 | KMT2A (0.47) | CA1CA2CA12CA7CA9 | |
| 1,2-Dimethoxybenzene SCHEMBL27898360 | 0.74 | CA1 (0.72) | CA1CA2CA12CA7CA9 | |
| 1,2-Dimethoxybenzene SCHEMBL27679751 | 0.74 | CA1 (0.72) | CA1CA2CA12CA7CA9 | |
| SCHEMBL16892941 | 0.74 | MAPT (0.42) | GAAPOLBKMT2AALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1896395-B1 | MODIFIED MALONATE DERIVATIVES | MERCK SHARP & DOHME (US) | 2015-07-15 | — | — | EP | disclosed |