Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOS1 | Q07889 | 1/20 | 0.52 |
| ▸ | MAOA | P21397 | 2/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 6/20 | 0.48 |
| ▸ | CA1 | P00915 | 8/20 | 0.47 |
| ▸ | CA2 | P00918 | 8/20 | 0.47 |
| ▸ | CA9 | Q16790 | 5/20 | 0.47 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | F2 | P00734 | 2/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.47 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31527705 | 0.79 | SOS1 (0.75) | SOS1MAOAPTGS2PTGS1CA1 | |
| SCHEMBL5795166 | 0.79 | MMP2 (0.50) | SOS1MAOAPTGS2PTGS1CA1 | |
| SCHEMBL283919 | 0.79 | SOS1 (0.75) | SOS1MAOAPTGS2PTGS1CA1 | |
| Hydrochloric Acid SCHEMBL29876112 | 0.77 | SOS1 (0.72) | SOS1MAOAPTGS2PTGS1CA1 | |
| SCHEMBL8043459 | 0.77 | SOS1 (0.72) | SOS1MAOAPTGS2PTGS1CA1 | |
| Iodide SCHEMBL28540305 | 0.77 | SOS1 (0.72) | SOS1MAOAPTGS2PTGS1CA1 | |
| SCHEMBL24698628 | 0.75 | CA2 (0.65) | CA1CA2CA9CA12CA7 | |
| SCHEMBL28462598 | 0.75 | CA1 (0.65) | CA1CA2CA9CA12CA7 | |
| SCHEMBL2290762 | 0.75 | PTGS2 (0.48) | PTGS2PTGS1CA1CA2MMP1 | |
| SCHEMBL16327482 | 0.75 | KIF11 (0.62) | PTGS2PTGS1CA1CA2CA9 |
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-5708034-A | FOR TREATING ARRHYTHMIA, ISCHEMIA | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-01-13 | — | — | US | disclosed |