Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.67 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.67 |
| ▸ | GBA1 | P04062 | 1/20 | 0.67 |
| ▸ | CNR1 | P21554 | 1/20 | 0.67 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.67 |
| ▸ | HRH2 | P25021 | 1/20 | 0.67 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.66 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | PDE4A | P27815 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22927145 | 0.97 | CYP2D6 (0.67) | CYP2D6SLC6A4KCNH2LMNACYP1A2 | |
| SCHEMBL24446500 | 0.96 | CYP2D6 (0.65) | CYP2D6SLC6A4KCNH2LMNACYP1A2 | |
| SCHEMBL22927420 | 0.96 | CYP2D6 (0.65) | CYP2D6SLC6A4KCNH2LMNACYP1A2 | |
| SCHEMBL22927156 | 0.95 | CYP2D6 (0.67) | CYP2D6SLC6A4KCNH2LMNACYP1A2 | |
| SCHEMBL22927153 | 0.95 | CYP2D6 (0.74) | CYP2D6SLC6A4KCNH2LMNACYP1A2 | |
| SCHEMBL24446594 | 0.89 | CYP2D6 (0.74) | CYP2D6SLC6A4KCNH2LMNACYP1A2 | |
| SCHEMBL30080216 | 0.89 | CYP2D6 (0.74) | CYP2D6SLC6A4KCNH2LMNACYP1A2 | |
| SCHEMBL2342350 | 0.89 | CYP2D6 (0.74) | CYP2D6SLC6A4KCNH2LMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL29729337 | 0.88 | CYP3A4 (0.74) | CYP2D6SLC6A4KCNH2LMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL158567 | 0.88 | CYP3A4 (0.74) | CYP2D6SLC6A4KCNH2LMNACYP1A2 |
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-4001260-A1 | DIBROMOBENZYL DERIVATIVE, STEREOISOMER OR SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF | Chengdu Shibeikang Biomedical Technology Co., Ltd. (CN) | 2022-05-25 | — | — | EP | disclosed |