Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 7/20 | 0.41 |
| ▸ | KDM5A | P29375 | 5/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | KDM4A | O75164 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL153410 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL22771660 | 0.94 | DNM1 (0.46) | SIGMAR1S1PR2S1PR1S1PR3S1PR5 | |
| SCHEMBL9188133 | 0.94 | CA12 (0.47) | CA12CA2CA3CA4CA6 | |
| SCHEMBL29580877 | 0.94 | CA12 (0.47) | CA12CA2CA3CA4CA6 | |
| SCHEMBL29581377 | 0.94 | CA12 (0.47) | CA12CA2CA3CA4CA6 | |
| SCHEMBL78617 | 0.90 | DNM1 (0.47) | CA12CA2CA3CA4CA6 | |
| SCHEMBL20100974 | 0.89 | SIGMAR1 (0.38) | SIGMAR1CA12CA2CA3CA4 | |
| SCHEMBL16711579 | 0.88 | DNM1 (0.57) | SIGMAR1S1PR2S1PR1S1PR3S1PR5 | |
| SCHEMBL800193 | 0.88 | DNM1 (0.55) | SIGMAR1S1PR2S1PR1S1PR3S1PR5 | |
| SCHEMBL23945948 | 0.87 | SIGMAR1 (0.46) | SIGMAR1CA12CA2CA3CA4 |
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-2019067974-A1 | ANTI-INFLAMMATORY, ANTI-CANCER, AND ANTI-ANGIOGENIC COMPOUNDS, PHARMACEUTICALS COMPOSITIONS, AND METHODS OF MAKING AND USING THEREOF | MEDICAL PHARMACEUTICALS, INC. (US) | 2019-04-04 | — | — | WO | disclosed |