Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.42 |
| ▸ | CA1 | P00915 | 5/20 | 0.42 |
| ▸ | CA2 | P00918 | 5/20 | 0.42 |
| ▸ | CA4 | P22748 | 5/20 | 0.42 |
| ▸ | CA9 | Q16790 | 5/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 3/20 | 0.36 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | BCL9 | O00512 | 1/20 | 0.35 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4747256 | 1.00 | CA12 (0.42) | CA12CA1CA2CA4CA9 | |
| SCHEMBL4745856 | 0.99 | CA12 (0.41) | CA12CA1CA2CA4CA9 | |
| SCHEMBL4746612 | 0.99 | CA12 (0.41) | CA12CA1CA2CA4CA9 | |
| SCHEMBL14069760 | 0.96 | CA12 (0.40) | CA12CA1CA2CA4CA9 | |
| SCHEMBL4743484 | 0.93 | PTGS2 (0.46) | CA12CA1CA2CA4CA9 | |
| SCHEMBL4743485 | 0.93 | PTGS2 (0.46) | CA12CA1CA2CA4CA9 | |
| SCHEMBL14069997 | 0.93 | PTGS2 (0.43) | CA12CA1CA2CA4CA9 | |
| SCHEMBL4744620 | 0.92 | PTGS2 (0.45) | CA12CA1CA2CA4CA9 | |
| SCHEMBL14069772 | 0.90 | KMT2A (0.43) | CA12CA1CA2CA4CA9 | |
| SCHEMBL14070321 | 0.90 | PTGS2 (0.44) | CA12CA1CA2CA4CA9 |
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-2008113863-A2 | NITROSATED DERIVATIVES OF 2,5-DIHYDROXYBENZENE COMPOUNDS | ACTION MEDICINES, S.L. (ES) | 2008-09-25 | — | — | WO | disclosed |
| WO-2008113863-A2 | NITROSATED DERIVATIVES OF 2,5-DIHYDROXYBENZENE COMPOUNDS | ACTION MEDICINES, S.L. (ES) | 2008-09-25 | — | — | WO | disclosed |