Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.52 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.44 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1684243 | 0.79 | TAAR1 (0.56) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL2389403 | 0.78 | TAAR1 (0.54) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| Water SCHEMBL7069224 | 0.78 | TAAR1 (0.54) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| Hydrochloric Acid SCHEMBL17710411 | 0.78 | TAAR1 (0.54) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL8380077 | 0.75 | TAAR1 (0.50) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL6546209 | 0.73 | SIGMAR1 (0.48) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| Isobutylbenzene SCHEMBL6544201 | 0.72 | TAAR1 (0.58) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL9947015 | 0.72 | SIGMAR1 (0.52) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL9562321 | 0.72 | TAAR1 (0.47) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 | |
| SCHEMBL8915534 | 0.72 | TAAR1 (0.52) | TAAR1SIGMAR1SLC6A2MAOASLC6A4 |
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-20210304851-A1 | COMPUTER-BASED METHOD FOR DETERMINING A SUNSCREEN COMPOSITION COMPRISING A PLURALITY OF UV FILTER SUBSTANCES | DSM IP ASSETS B.V. (NL) | 2021-09-30 | — | — | US | disclosed |