Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | PSEN1 | P49768 | 10/20 | 0.45 |
| ▸ | PSEN2 | P49810 | 10/20 | 0.45 |
| ▸ | APH1B | Q8WW43 | 10/20 | 0.45 |
| ▸ | NCSTN | Q92542 | 10/20 | 0.45 |
| ▸ | APH1A | Q96BI3 | 10/20 | 0.45 |
| ▸ | PSENEN | Q9NZ42 | 10/20 | 0.45 |
| ▸ | NR2E1 | Q9Y466 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL27985278 | 0.89 | CYP1A2 (0.65) | CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL1845259 | 0.84 | POLB (0.51) | CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL2285981 | 0.83 | CYP1A2 (0.59) | CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL12988609 | 0.80 | CYP3A4 (0.56) | CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL4668245 | 0.80 | CYP1A2 (0.56) | CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL264998 | 0.80 | CYP1A2 (0.56) | CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL19272800 | 0.80 | CYP1A2 (0.56) | CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL4666728 | 0.80 | CYP3A4 (0.56) | CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL22198914 | 0.79 | NR2E1 (0.60) | CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9 | |
| SCHEMBL2283022 | 0.79 | CYP2E1 (0.65) | CYP3A4CYP1A2CYP2D6CYP19A1CYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022007966-A1 | PB2 INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 四川海思科制药有限公司 | 2022-01-13 | — | — | WO | disclosed |
| WO-2021126729-A1 | PRMT5 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2021-06-24 | — | — | WO | disclosed |
| CN-107849042-A | Bicyclic heterocycle derivatives | 默克专利股份公司 | 2018-03-27 | — | — | CN | disclosed |
| WO-2017140758-A1 | DERIVATIVES OF 2-AMINO-4-(2-OXAZOLIDINON-3-YL)-PYRIMIDINE FUSED WITH A FIVE-MEMBERED HETEROAROMATIC RING IN 5,6-POSITION WHICH ARE USEFUL FOR THE TREATMENT OF VARIOUS CANCERS | DEBIOPHARM INTERNATIONAL S.A. (CH) | 2017-08-24 | — | — | WO | disclosed |
| EP-2534170-B1 | IAP BIR DOMAIN BINDING COMPOUNDS | PHARMASCIENCE INC (CA) | 2017-04-19 | — | — | EP | disclosed |