Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | ACP3 | P15309 | 1/20 | 0.38 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.36 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7681055 | 1.00 | PDPK1 (0.41) | PDPK1PIN1IDO1ACP3SRD5A1 | |
| SCHEMBL7681053 | 1.00 | PDPK1 (0.41) | PDPK1PIN1IDO1ACP3SRD5A1 | |
| SCHEMBL21937667 | 0.77 | IDO1 (0.46) | PDPK1PIN1IDO1ACP3SRD5A1 | |
| SCHEMBL9165650 | 0.77 | IDO1 (0.46) | PDPK1PIN1IDO1ACP3SRD5A1 | |
| SCHEMBL384149 | 0.77 | IDO1 (0.46) | PDPK1PIN1IDO1ACP3SRD5A1 | |
| Fluoride SCHEMBL29683041 | 0.75 | IDO1 (0.44) | PDPK1PIN1IDO1ACP3SRD5A1 | |
| Trimethylammonium SCHEMBL27680479 | 0.75 | SIGMAR1 (0.45) | PDPK1PIN1IDO1SRD5A1ALDH1A1 | |
| SCHEMBL1567191 | 0.73 | PDPK1 (0.50) | PDPK1IDO1SRD5A1MAOAMAOB | |
| SCHEMBL27532617 | 0.72 | PDPK1 (0.42) | PDPK1PIN1IDO1ACP3MAOA | |
| SCHEMBL3365329 | 0.71 | HTT (0.46) | ALDH1A1 |
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-6362141-B1 | ORGANOLEPTIC; PERFUMES, COSMETICS, CLEANING COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2002-03-26 | — | — | US | disclosed |
| US-6342612-B1 | FRAGRANCES | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2002-01-29 | — | — | US | disclosed |