Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.53 |
| ▸ | CA2 | P00918 | 8/20 | 0.47 |
| ▸ | CA12 | O43570 | 7/20 | 0.47 |
| ▸ | CA1 | P00915 | 7/20 | 0.47 |
| ▸ | CA9 | Q16790 | 7/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA5A | P35218 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | LOX | P28300 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29588197 | 0.89 | HDAC7 (0.45) | PTGS2PTGS1CA2CA12CA1 | |
| SCHEMBL8597605 | 0.89 | HDAC7 (0.45) | PTGS2PTGS1CA2CA12CA1 | |
| Hydrochloric Acid SCHEMBL5795789 | 0.88 | PTGS2 (0.50) | PTGS2PTGS1MAOALOXL2 | |
| SCHEMBL28182008 | 0.87 | HDAC7 (0.44) | PTGS2PTGS1CA2CA12CA1 | |
| SCHEMBL28877972 | 0.86 | PTGS2 (0.47) | PTGS2PTGS1CA2CA12CA1 | |
| SCHEMBL6164811 | 0.86 | PTGS2 (0.41) | PTGS2PTGS1CA2CA12CA1 | |
| SCHEMBL31085516 | 0.85 | HSD17B1 (0.45) | PTGS2PTGS1CA2CA12CA1 | |
| SCHEMBL6165621 | 0.85 | CA12 (0.50) | PTGS2PTGS1CA2CA12CA1 | |
| SCHEMBL28383628 | 0.83 | CNR1 (0.48) | PTGS2PTGS1CA2CA12CA1 | |
| SCHEMBL8552729 | 0.81 | CA2 (0.53) | PTGS2PTGS1CA2CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008076918-A9 | ANTI-CANCER AGENTS AND ANDROGEN INHIBITION ACTIVITY COMPOUND | UNIV MARYLAND (US) | 2008-08-07 | — | — | WO | disclosed |
| WO-2008076918-A2 | ANTI-CANCER AGENTS AND ANDROGEN INHIBITION ACTIVITY COMPOUND | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2008-06-26 | — | — | WO | disclosed |