Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.61 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.49 |
| ▸ | ACACB | O00763 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | PARP1 | P09874 | 1/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.48 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.48 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 1/20 | 0.47 |
| ▸ | PPARA | Q07869 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27795435 | 0.85 | LDHA (0.65) | LDHASLC6A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL3832306 | 0.84 | LDHA (0.62) | LDHASLC6A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL663059 | 0.84 | LDHA (0.73) | LDHASLC6A4ACACBPPARGPPARA | |
| SCHEMBL23051836 | 0.84 | LDHA (0.62) | LDHASLC6A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL8283100 | 0.84 | LDHA (0.73) | LDHASLC6A4ACACBPPARGPPARA | |
| SCHEMBL13780262 | 0.83 | PARP10 (0.54) | ACACBPARP10ALDH1A1 | |
| SCHEMBL1900987 | 0.82 | LDHA (0.61) | LDHASLC6A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL1587131 | 0.82 | LDHA (0.61) | LDHASLC6A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL3357448 | 0.82 | LDHA (0.61) | LDHASLC6A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL1587128 | 0.82 | LDHA (0.61) | LDHASLC6A4CYP2C19CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114736197-B | Imidazolidinone derivatives and their use | 南京医工医药技术有限公司 | 2022-09-13 | — | — | CN | disclosed |
| CN-107820429-B | Novel compositions and methods for immunotherapy comprising small molecule integrin receptor-ligand agonist adjuvants | 7山药物有限责任公司 | 2022-08-16 | — | — | CN | disclosed |
| CN-114736197-A | Imidazolidinone derivatives and their use | 南京医工医药技术有限公司 | 2022-07-12 | — | — | CN | disclosed |
| US-8163761-B2 | Methods and compositions for treating disorders | HYDRA BIOSCIENCES, INC. (US) | 2012-04-24 | — | — | US | disclosed |
| WO-2011006935-A2 | TETRAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-01-20 | — | — | WO | disclosed |