Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MLNR | O43193 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | FYN | P06241 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL22678793 | 0.83 | EPHX1 (0.50) | EPHX1CYP2D6TP53LMNAMEN1 | |
| SCHEMBL17529723 | 0.77 | EPHX1 (0.44) | EPHX1CYP2D6TP53LMNAMEN1 | |
| SCHEMBL3823377 | 0.77 | EPHX1 (0.44) | EPHX1CYP2D6TP53LMNAMEN1 | |
| SCHEMBL5824287 | 0.77 | EPHX1 (0.44) | EPHX1CYP1A2TSHRSIGMAR1SHBG | |
| SCHEMBL11440474 | 0.76 | EPHX1 (0.43) | EPHX1CYP1A2TSHRSIGMAR1SHBG | |
| SCHEMBL2593250 | 0.76 | EPHX1 (0.43) | EPHX1CYP1A2TSHRSIGMAR1SHBG | |
| SCHEMBL9958443 | 0.76 | EPHX1 (0.43) | EPHX1CYP2D6TP53LMNAMEN1 | |
| SCHEMBL17529700 | 0.76 | EPHX1 (0.43) | EPHX1CYP2D6TP53LMNAMEN1 | |
| SCHEMBL11440912 | 0.76 | EPHX1 (0.43) | EPHX1CYP1A2TSHRSIGMAR1SHBG | |
| SCHEMBL1323141 | 0.76 | EPHX1 (0.43) | EPHX1CYP2D6TP53LMNAMEN1 |
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-5262556-A | Alkylation or hydroxyalkylation by deprotonation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-11-16 | — | — | US | disclosed |