Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 11/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | ADH1B | P00325 | 1/20 | 0.35 |
| ▸ | ADH1C | P00326 | 1/20 | 0.35 |
| ▸ | ADH1A | P07327 | 1/20 | 0.35 |
| ▸ | ADH4 | P08319 | 1/20 | 0.35 |
| ▸ | ADH7 | P40394 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | XBP1 | P17861 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29243954 | 0.98 | ALDH1A1 (0.39) | EPHX1ALDH1A1TSHRADH1BADH1C | |
| SCHEMBL14864944 | 0.83 | EPHX1 (0.42) | EPHX1ALDH1A1TSHRADH1BADH1C | |
| SCHEMBL20000440 | 0.77 | — | — | |
| SCHEMBL23733619 | 0.74 | ALDH1A1 (0.40) | EPHX1ALDH1A1TSHRADH1BADH1C | |
| SCHEMBL3449861 | 0.73 | EPHX1 (0.46) | EPHX1ALDH1A1TSHRADH1BADH1C | |
| SCHEMBL10484484 | 0.73 | EPHX1 (0.46) | EPHX1ALDH1A1TSHRADH1BADH1C | |
| SCHEMBL3451378 | 0.73 | EPHX1 (0.46) | EPHX1ALDH1A1TSHRADH1BADH1C | |
| SCHEMBL16609758 | 0.73 | EPHX1 (0.46) | EPHX1ALDH1A1TSHRADH1BADH1C | |
| SCHEMBL24755099 | 0.73 | EPHX1 (0.46) | EPHX1ALDH1A1TSHRADH1BADH1C | |
| SCHEMBL11922807 | 0.73 | TSHR (0.36) | ALDH1A1TSHRADH1BADH1CADH1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0139504-B1 | ADAMANTYLAMINE/LONG CHAIN ALKYLAMINE CATALYSTS AND USE IN PARAFFIN-OLEFIN ALKYLATION PROCESS | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1988-06-08 | — | — | EP | claimed |