Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 8/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 2/20 | 0.38 |
| ▸ | CA6 | P23280 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Ether SCHEMBL5357800 | 0.79 | CYP2D6 (0.40) | PTGS1PTGS2KMT2AHTTOPRK1 | |
| SCHEMBL8469932 | 0.79 | CA1 (0.43) | PTGS1PTGS2KMT2AHTTOPRK1 | |
| SCHEMBL11123695 | 0.78 | CA1 (0.39) | PTGS1PTGS2KMT2AHTTOPRK1 | |
| SCHEMBL10824823 | 0.77 | NPC1 (0.43) | PTGS1PTGS2KMT2AHTTOPRK1 | |
| SCHEMBL4226074 | 0.77 | CTSK (0.42) | — | |
| SCHEMBL15616248 | 0.77 | CYP2D6 (0.48) | KMT2AHTTCA1CA2CA4 | |
| SCHEMBL8469713 | 0.76 | NPC1 (0.47) | PTGS1PTGS2KMT2AHTTOPRK1 | |
| SCHEMBL8469486 | 0.76 | PTGS1 (0.43) | PTGS1PTGS2KMT2AHTTOPRK1 | |
| SCHEMBL14563381 | 0.75 | PTGS2 (0.48) | PTGS1PTGS2KMT2AHTTOPRK1 | |
| SCHEMBL4740919 | 0.75 | PTGS1 (0.38) | PTGS1PTGS2KMT2AHTTOPRK1 |
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-0926122-A1 | Process for the preparation of cyclic ketones | HAARMANN & REIMER GMBH (DE) | 1999-06-30 | — | — | EP | disclosed |