Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.37 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.37 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | AGXT | P21549 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3579084 | 0.80 | TAAR1 (0.44) | SLC6A2TAAR1CYP1A2CYP2D6IDO1 | |
| SCHEMBL16177925 | 0.78 | ALDH1A1 (0.34) | CA1ALDH1A1TSHR | |
| SCHEMBL19043286 | 0.75 | MBOAT4 (0.34) | ALDH1A1TSHRADH1BADH1CADH1A | |
| SCHEMBL17146847 | 0.74 | TSHR (0.44) | KMT2ACA1CA2CA9ALDH1A1 | |
| SCHEMBL28384963 | 0.74 | SLC6A2 (0.45) | SLC6A2TAAR1CYP1A2CYP2D6IDO1 | |
| SCHEMBL28055769 | 0.73 | ALDH1A1 (0.41) | SLC6A2SLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL28381990 | 0.73 | SLC6A2 (0.52) | SLC6A2TAAR1SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL22775989 | 0.73 | TSHR (0.40) | IDO1AGXTCA1CA2CA9 | |
| SCHEMBL27899232 | 0.72 | LMNA (0.45) | SLC6A2SLC1A3SLC1A2SLC1A1MEN1 | |
| SCHEMBL1273252 | 0.72 | ALDH1A1 (0.49) | SLC6A2MEN1KMT2ACA9ALDH1A1 |
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-9586883-B2 | Aldehyde-selective wacker-type oxidation of unbiased alkenes | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2017-03-07 | — | — | US | disclosed |