Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7520380 | 0.73 | MT-CO2 (0.51) | MAPTALDH1A1 | |
| SCHEMBL2371816 | 0.69 | CES1 (0.64) | CES1CYP19A1ALDH1A1CA1CA2 | |
| SCHEMBL6554630 | 0.68 | CES1 (1.00) | CES1MAPTCYP19A1ALDH1A1WDR5 | |
| SCHEMBL2474197 | 0.68 | CES1 (1.00) | CES1MAPTCYP19A1ALDH1A1WDR5 | |
| SCHEMBL7516899 | 0.68 | NPC1 (0.51) | MAPTALDH1A1CA1CA2CA12 | |
| SCHEMBL12353348 | 0.67 | CA2 (0.64) | CES1CYP19A1ALDH1A1CA1CA2 | |
| SCHEMBL7525086 | 0.67 | NPC1 (0.50) | MAPTALDH1A1 | |
| SCHEMBL27330468 | 0.67 | CES1 (0.47) | CES1CYP19A1ALDH1A1CA1CA2 | |
| SCHEMBL2240607 | 0.66 | CA2 (0.61) | CES1CYP19A1ALDH1A1CA1CA2 | |
| SCHEMBL6926687 | 0.65 | CA2 (0.67) | CES1CYP19A1ALDH1A1CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1173420-A2 | HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY | Novuspharma S.p.A. (IT) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000053581-A2 | HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY | NOVUSPHARMA S.P.A. (IT) | 2000-09-14 | — | — | WO | disclosed |