Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 5/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | CA6 | P23280 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 3/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11798192 | 0.98 | PTGS1 (0.51) | PTGS1PTGS2OPRK1HTTKMT2A | |
| SCHEMBL9144361 | 0.98 | PTGS1 (0.51) | PTGS1PTGS2OPRK1HTTKMT2A | |
| SCHEMBL29169558 | 0.96 | PTGS2 (0.56) | PTGS1PTGS2OPRK1HTTKMT2A | |
| SCHEMBL1784163 | 0.96 | PTGS2 (0.56) | PTGS1PTGS2OPRK1HTTKMT2A | |
| SCHEMBL17135364 | 0.84 | PTGS2 (0.55) | PTGS1PTGS2OPRK1HTTKMT2A | |
| Formic Acid Methyl Ester SCHEMBL31198172 | 0.84 | PTGS2 (0.49) | PTGS1PTGS2OPRK1HTTKMT2A | |
| SCHEMBL9790769 | 0.84 | PTGS2 (0.57) | PTGS1PTGS2OPRK1HTTKMT2A | |
| SCHEMBL29169546 | 0.84 | PTGS2 (0.57) | PTGS1PTGS2OPRK1HTTKMT2A | |
| SCHEMBL11791432 | 0.84 | POLB (0.46) | MAOBESR1ESR2NPC1ALDH1A1 | |
| SCHEMBL4595 | 0.84 | PTGS2 (0.57) | PTGS1PTGS2OPRK1HTTKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5466816-A | Process for preparation of azolylmethylcycloalkanol derivatives | KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) | 1995-11-14 | — | — | US | disclosed |
| EP-0655443-A2 | Process for the preparation of azolylmethylcycloalkanol derivatives | KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) | 1995-05-31 | — | — | EP | disclosed |
| US-5387693-A | Intermediates for inhibitors of cholesterol biosynthesis | ORTHO PHARMACEUTICAL CORPORATION (US) | 1995-02-07 | — | — | US | disclosed |
| US-4221788-A | 2-(Optionally-substituted)benzylperhydroazepines for analgesia and lowering blood pressure | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1980-09-09 | — | — | US | disclosed |