Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.56 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | ACACB | O00763 | 6/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | NQO1 | P15559 | 1/20 | 0.48 |
| ▸ | ACACA | Q13085 | 1/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.46 |
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 SCHEMBL10915574 | 0.98 | AKR1C3 (0.55) | AKR1C3AKR1C2NPSR1PTGS2ACACB | |
| SCHEMBL10792190 | 0.85 | ACACB (0.48) | AKR1C3AKR1C2NPSR1ACACBCNR2 | |
| SCHEMBL10822109 | 0.83 | PARP10 (0.49) | AKR1C3AKR1C2NPSR1ACACBCNR2 | |
| SCHEMBL11016767 | 0.83 | ACACB (0.52) | AKR1C3AKR1C2NPSR1ACACBCNR2 | |
| SCHEMBL11280659 | 0.83 | AKR1C3 (0.50) | AKR1C3AKR1C2NPSR1PTGS2ACACB | |
| SCHEMBL5881684 | 0.82 | AKR1C3 (0.73) | AKR1C3AKR1C2NPSR1PTGS2ACACB | |
| Hydrochloric Acid SCHEMBL10920754 | 0.81 | ALDH1A1 (0.55) | AKR1C3AKR1C2PTGS2ACACBALDH1A1 | |
| SCHEMBL11711239 | 0.81 | NPSR1 (0.55) | AKR1C3AKR1C2NPSR1PTGS2ALDH1A1 | |
| SCHEMBL317875 | 0.80 | AKR1C3 (0.75) | AKR1C3AKR1C2NPSR1PTGS2ALDH1A1 | |
| SCHEMBL9818100 | 0.80 | AKR1C3 (0.75) | AKR1C3AKR1C2NPSR1PTGS2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4668815-A | FROM ACYL HALIDE AND ALCOHOL WITH TIRPLE BOND | KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1987-05-26 | — | — | US | disclosed |
| EP-0048136-B1 | PROCESS FOR PREPARING ALPHA-AROMATIC GROUP SUBSTITUTED ALKANOIC ACIDS OR ESTERS THEREOF | SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) | 1986-06-11 | — | — | EP | disclosed |