Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL11852039 | 0.94 | TSHR (0.62) | TSHRTRPA1ALDH1A1GAAGFER | |
| SCHEMBL11848745 | 0.88 | TSHR (0.57) | TSHRTRPA1ALDH1A1GAAGFER | |
| Maleic Acid SCHEMBL11840695 | 0.85 | TSHR (0.54) | TSHRTRPA1ALDH1A1GAAGFER | |
| Fumaric Acid SCHEMBL11840713 | 0.85 | TSHR (0.54) | TSHRTRPA1ALDH1A1GAAGFER | |
| SCHEMBL2494160 | 0.79 | TSHR (0.67) | TSHRALDH1A1GAAGFERLMNA | |
| SCHEMBL11846556 | 0.79 | TSHR (0.50) | TSHRALDH1A1OPRL1OPRM1OPRK1 | |
| SCHEMBL2493279 | 0.77 | TSHR (0.83) | TSHRALDH1A1GAAGFERLMNA | |
| SCHEMBL11809473 | 0.76 | TSHR (0.45) | TSHRALDH1A1GAAGFERCYP1B1 | |
| SCHEMBL11848742 | 0.75 | TSHR (0.46) | TSHRALDH1A1OPRL1GAAOPRM1 | |
| SCHEMBL3027897 | 0.74 | TRPA1 (0.64) | TRPA1ALDH1A1GAACYP1B1CA1 |
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 |
|---|---|---|---|---|---|---|---|
| US-3969506-A | BRONCHODILATOR | SANDOZ, INC. (US) | 1976-07-13 | — | — | US | disclosed |