Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.69 |
| ▸ | CA2 | P00918 | 3/20 | 0.69 |
| ▸ | CA12 | O43570 | 1/20 | 0.69 |
| ▸ | CA3 | P07451 | 1/20 | 0.69 |
| ▸ | CA4 | P22748 | 1/20 | 0.69 |
| ▸ | CA6 | P23280 | 1/20 | 0.69 |
| ▸ | CA5A | P35218 | 1/20 | 0.69 |
| ▸ | CA7 | P43166 | 1/20 | 0.69 |
| ▸ | CA9 | Q16790 | 1/20 | 0.69 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.69 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.69 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.69 |
| ▸ | MMP1 | P03956 | 1/20 | 0.57 |
| ▸ | MMP2 | P08253 | 1/20 | 0.57 |
| ▸ | MMP9 | P14780 | 1/20 | 0.57 |
| ▸ | MMP8 | P22894 | 1/20 | 0.57 |
| ▸ | MMP13 | P45452 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | IDO1 | P14902 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2442745 | 0.82 | CA1 (1.00) | CA1CA2CA12CA3CA4 | |
| SCHEMBL9412377 | 0.81 | RECQL (0.64) | CA1CA2CA12CA3CA4 | |
| SCHEMBL418582 | 0.80 | GAA (0.68) | CA1CA2CA12CA9MMP1 | |
| SCHEMBL10617367 | 0.80 | CA1 (0.95) | CA1CA2CA12CA3CA4 | |
| SCHEMBL11512091 | 0.80 | CA1 (0.95) | CA1CA2CA12CA3CA4 | |
| SCHEMBL7527514 | 0.78 | MEN1 (0.58) | CA1CA2CA12CA3CA4 | |
| SCHEMBL12022527 | 0.78 | CA1 (0.57) | CA1CA2CA12CA3CA4 | |
| SCHEMBL21901012 | 0.77 | GAA (0.63) | CA1CA2MMP1MMP2MMP9 | |
| SCHEMBL6926687 | 0.77 | CA2 (0.67) | CA1CA2CA12CA3CA4 | |
| SCHEMBL10449140 | 0.75 | CA1 (0.63) | CA1CA2MMP1MMP2MMP9 |
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-4892887-A | ANTITUMOR | YALE UNIVERSITY (US) | 1990-01-09 | — | — | US | disclosed |