Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29450749 | 1.00 | EPHX1 (0.49) | EPHX1CYP19A1ALDH1A1HPGDLMNA | |
| SCHEMBL29992331 | 1.00 | EPHX1 (0.49) | EPHX1CYP19A1ALDH1A1HPGDLMNA | |
| Acetic Acid SCHEMBL13280630 | 0.87 | EPHX1 (0.57) | EPHX1CYP19A1ALDH1A1HPGDLMNA | |
| Acetic Acid SCHEMBL900604 | 0.87 | EPHX1 (0.57) | EPHX1CYP19A1ALDH1A1HPGDLMNA | |
| SCHEMBL23722957 | 0.87 | EPHX1 (0.60) | EPHX1CYP19A1ALDH1A1HPGDLMNA | |
| SCHEMBL57396 | 0.87 | EPHX1 (0.60) | EPHX1CYP19A1ALDH1A1HPGDLMNA | |
| SCHEMBL17255739 | 0.87 | EPHX1 (0.60) | EPHX1CYP19A1ALDH1A1HPGDLMNA | |
| SCHEMBL21250767 | 0.87 | EPHX1 (0.60) | EPHX1CYP19A1ALDH1A1HPGDLMNA | |
| SCHEMBL18844821 | 0.87 | EPHX1 (0.60) | EPHX1CYP19A1ALDH1A1HPGDLMNA | |
| SCHEMBL13271704 | 0.87 | EPHX1 (0.60) | EPHX1CYP19A1ALDH1A1HPGDLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220331452-A1 | IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2022-10-20 | — | — | US | disclosed |
| CN-114502138-A | Improvements in or relating to organic compounds | 奇华顿股份有限公司 | 2022-05-13 | — | — | CN | disclosed |
| EP-3990597-A2 | IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS | Givaudan SA (CH) | 2022-05-04 | — | — | EP | disclosed |