Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 7/20 | 0.52 |
| ▸ | LDHB | P07195 | 7/20 | 0.52 |
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | GLRA3 | O75311 | 1/20 | 0.41 |
| ▸ | GLRB | P48167 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALB | P02768 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5590144 | 0.92 | LDHA (0.57) | LDHALDHBDPP4CYP3A4ACHE | |
| SCHEMBL19193900 | 0.88 | LDHA (0.54) | LDHALDHBDPP4CYP3A4ACHE | |
| SCHEMBL8830267 | 0.88 | LDHA (0.48) | LDHALDHBDPP4CYP3A4ACHE | |
| SCHEMBL7577609 | 0.88 | LDHA (0.46) | LDHALDHBDPP4CYP3A4ACHE | |
| SCHEMBL274096 | 0.86 | LDHA (0.42) | LDHALDHBDPP4CYP3A4ACHE | |
| SCHEMBL29434000 | 0.86 | LDHA (0.42) | LDHALDHBDPP4CYP3A4ACHE | |
| SCHEMBL5587007 | 0.85 | LDHA (0.42) | LDHALDHBDPP4CYP3A4ACHE | |
| SCHEMBL5589377 | 0.85 | DPP4 (0.45) | LDHALDHBDPP4CYP3A4ACHE | |
| SCHEMBL5589356 | 0.85 | LDHA (0.42) | LDHALDHBDPP4CYP3A4ACHE | |
| SCHEMBL5589466 | 0.85 | LDHA (0.42) | LDHALDHBDPP4CYP3A4ACHE |
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 |
|---|---|---|---|---|---|---|---|
| CN-114478243-A | Method for synthesizing dihydroxy dimethyl terephthalate by oxygen catalytic oxidation method | 常州大学 | 2022-05-13 | — | — | CN | claimed |
| US-4939254-A | Template synthesis of macrocyclic catecholamide complexes | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1990-07-03 | — | — | US | disclosed |