Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 7/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9848168 | 0.78 | NPC1 (0.46) | ALDH1A1KDM4EHPGDLMNANPC1 | |
| SCHEMBL9848139 | 0.77 | KMT2A (0.49) | ALDH1A1KDM4EHPGDLMNAMAPT | |
| SCHEMBL9848113 | 0.76 | PTGS2 (0.43) | PTGS2PTGS1PDE3A | |
| SCHEMBL4310411 | 0.70 | LMNA (0.51) | PTGS1HPGDLMNARAB9ATP53 | |
| SCHEMBL9848198 | 0.69 | PTGS2 (0.42) | PTGS2PTGS1PDE3A | |
| SCHEMBL5729039 | 0.69 | ESR1 (0.58) | KDM4EMAPT | |
| SCHEMBL15943678 | 0.68 | PTGS2 (0.76) | PTGS2PTGS1PDE3A | |
| SCHEMBL2777468 | 0.68 | PTGS2 (0.59) | PTGS2PTGS1PDE3AALDH1A1TP53 | |
| Hydrochloric Acid SCHEMBL9848181 | 0.67 | ALDH1A1 (0.40) | ALDH1A1KDM4EHPGDLMNANPC1 | |
| SCHEMBL2775071 | 0.66 | GAA (0.64) | PTGS2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0414391-A2 | Aminoketone derivatives and use thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-02-27 | — | — | EP | disclosed |