Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 2/20 | 0.60 |
| ▸ | ACLY | P53396 | 5/20 | 0.56 |
| ▸ | METAP2 | P50579 | 3/20 | 0.55 |
| ▸ | KDM1A | O60341 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL29191234 | 0.83 | METAP2 (0.56) | MCL1METAP2LMNACYP1A2CYP2C9 | |
| SCHEMBL28995988 | 0.83 | LMNA (0.53) | MCL1METAP2LMNACYP1A2CYP2C9 | |
| SCHEMBL28995990 | 0.82 | LMNA (0.67) | ACLYMETAP2LMNAHTT | |
| SCHEMBL16496289 | 0.81 | METAP2 (0.75) | MCL1ACLYMETAP2KDM1ALMNA | |
| SCHEMBL28995977 | 0.81 | HSD17B2 (0.58) | METAP2KDM1ALMNACYP1A2CYP2C9 | |
| SCHEMBL28995965 | 0.80 | LMNA (0.51) | MCL1METAP2LMNACYP1A2CYP2C9 | |
| SCHEMBL28995980 | 0.80 | KCNA5 (0.57) | METAP2LMNACYP1A2CYP2C9HTT | |
| SCHEMBL29191237 | 0.80 | METAP2 (0.50) | METAP2LMNACYP1A2CYP2C9HTT | |
| SCHEMBL28996025 | 0.80 | ALDH1A1 (0.51) | METAP2KDM1ALMNACYP1A2CYP2C9 | |
| SCHEMBL28996151 | 0.80 | METAP2 (0.62) | METAP2LMNACYP1A2CYP2C9HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116082269-B | 1,3, 4-Oxazoline compound containing trifluoromethyl quaternary carbon center and preparation method thereof | 盐城工学院 | 2024-06-21 | — | — | CN | disclosed |
| CN-117843651-A | Tetrahydrofuran [3,2-b ] indoline compound containing trifluoromethyl quaternary carbon center and preparation method thereof | 盐城工学院 | 2024-04-09 | — | — | CN | disclosed |
| CN-116082269-A | 1,3, 4-oxazoline compound containing trifluoromethyl quaternary carbon center and preparation method thereof | 盐城工学院 | 2023-05-09 | — | — | CN | disclosed |