Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.57 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 3/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | DRD1 | P21728 | 2/20 | 0.42 |
| ▸ | ELANE | P08246 | 2/20 | 0.41 |
| ▸ | CTSG | P08311 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6712987 | 0.81 | CA1 (0.41) | GABRA1GABRB2CA1CA2DRD3 | |
| SCHEMBL12884485 | 0.79 | GABRA1 (0.48) | GABRA1GABRB2ELANEALDH1A1HPGD | |
| SCHEMBL16233145 | 0.79 | GABRA1 (0.48) | GABRA1GABRB2ELANELMNACYP3A4 | |
| SCHEMBL5018903 | 0.79 | GABRA1 (0.48) | GABRA1GABRB2CA1CA2ELANE | |
| SCHEMBL1836066 | 0.79 | CA1 (0.48) | CA1CA2DRD3SIGMAR1DRD1 | |
| SCHEMBL300777 | 0.79 | CA1 (0.53) | GABRA1GABRB2CA1CA2DRD3 | |
| Methoxymethane SCHEMBL29084367 | 0.79 | GABRA1 (0.57) | GABRA1GABRB2CA1CA2ELANE | |
| SCHEMBL19386881 | 0.78 | GABRA1 (0.47) | GABRA1GABRB2DRD3SIGMAR1LMNA | |
| SCHEMBL14983718 | 0.78 | SLC6A2 (0.50) | GABRA1GABRB2ELANEMAPTMAPK1 | |
| SCHEMBL774013 | 0.77 | CA1 (0.47) | CA1CA2DRD3SIGMAR1DRD1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016074696-A1 | PERFUME INGREDIENTS AND PERFUME PREPARATIONS CONTAINING SAME | GIVAUDAN AG (CH) | 2016-05-19 | — | — | WO | disclosed |