Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.36 |
| ▸ | EBP | Q15125 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8967452 | 0.82 | TSHR (0.55) | TP53TSHRTRPA1EBPSIGMAR1 | |
| SCHEMBL444104 | 0.82 | TSHR (0.55) | TP53TSHRTRPA1EBPSIGMAR1 | |
| SCHEMBL8323180 | 0.82 | TSHR (0.55) | TP53TSHRTRPA1EBPSIGMAR1 | |
| SCHEMBL2289971 | 0.77 | PPARG (0.43) | TSHRRORCALDH1A1ALOX15 | |
| SCHEMBL11459690 | 0.77 | ADORA3 (0.52) | TP53TSHRTRPA1EBPSIGMAR1 | |
| SCHEMBL9167335 | 0.75 | TP53 (0.70) | TP53TSHRRORCSLC6A4ACACB | |
| SCHEMBL7976221 | 0.74 | SLC6A4 (0.60) | TSHRSLC6A4ACACBLDHA | |
| SCHEMBL8283102 | 0.74 | SLC6A4 (0.60) | TSHRSLC6A4ACACBLDHA | |
| SCHEMBL9170869 | 0.74 | SIGMAR1 (0.47) | TSHREBPSIGMAR1ADORA3CHRM1 | |
| SCHEMBL9815006 | 0.74 | ACACB (0.49) | TRPA1SLC6A4ACACBLDHA |
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 |
|---|---|---|---|---|---|---|---|
| JP-2304042-A | — | — | None | — | — | JP | disclosed |
| JP-H02304042-A | AROMATIC ALDEHYDE, ITS DERIVATIVE, PERFUMING INGREDIENT, PERFUMING COMPOSITION, PERFUMED ARTICLE, PRODUCTION OF NOVEL COMPOUND, NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICAMENT HAVING BACTERICIDAL ACTION AND HERBICIDAL ACTION | FIRMENICH SA | 1990-12-17 | — | — | JP | disclosed |