Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6338008 | 0.86 | CYP1A2 (0.52) | CYP1A2HPGDEPHX1HSD11B1SIGMAR1 | |
| SCHEMBL11262734 | 0.85 | CYP1A2 (0.50) | CYP1A2EPHX1SIGMAR1 | |
| SCHEMBL11274111 | 0.83 | SIGMAR1 (0.50) | CYP1A2EPHX1SIGMAR1MEN1KMT2A | |
| SCHEMBL11274166 | 0.80 | SIGMAR1 (0.47) | CYP1A2EPHX1SIGMAR1MEN1KMT2A | |
| SCHEMBL8159785 | 0.80 | CYP1A2 (0.48) | CYP1A2HPGDHSD11B1ALDH1A1SIGMAR1 | |
| SCHEMBL9257431 | 0.80 | CYP1A2 (0.48) | CYP1A2HPGDHSD11B1ALDH1A1SIGMAR1 | |
| SCHEMBL22212346 | 0.79 | HRH1 (0.32) | — | |
| SCHEMBL15492890 | 0.79 | HPGD (0.47) | CYP1A2HPGDHSD11B1ALDH1A1ATM | |
| SCHEMBL12643323 | 0.78 | HPGD (0.45) | CYP1A2HPGDHSD11B1ALDH1A1SIGMAR1 | |
| SCHEMBL8071153 | 0.77 | GNAO1 (0.37) | MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023011443-A1 | 3CL PROTEASE SMALL-MOLECULE INHIBITOR FOR TREATING OR PREVENTING CORONAVIRUS INFECTION, AND USE THEREOF | 北京华益健康药物研究中心 | 2023-02-09 | — | — | WO | disclosed |
| EP-3470407-A1 | COMPOUNDS USEFUL AS MODULATORS OF TRPM8 | Senomyx, Inc. (US) | 2019-04-17 | — | — | EP | disclosed |