Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TACR1 | P25103 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | PGK1 | P00558 | 1/20 | 0.34 |
| ▸ | PGK2 | P07205 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16962399 | 0.94 | NOS2 (0.43) | NOS3NOS1NOS2GABRA1GABRB2 | |
| SCHEMBL16956531 | 0.84 | NOS3 (0.37) | NOS3NOS1NOS2GABRA1GABRB2 | |
| SCHEMBL2623892 | 0.84 | NR3C1 (0.40) | NOS3NOS1NOS2GABRA1GABRB2 | |
| SCHEMBL12169268 | 0.84 | NR3C1 (0.40) | NOS3NOS1NOS2GABRA1GABRB2 | |
| SCHEMBL22112109 | 0.84 | NOS2 (0.41) | NOS3NOS1NOS2GABRA1GABRB2 | |
| SCHEMBL24446732 | 0.84 | NOS3 (0.37) | NOS3NOS1NOS2GABRA1GABRB2 | |
| SCHEMBL3960595 | 0.84 | ALDH1A1 (0.50) | NOS3NOS1NOS2GABRA1GABRB2 | |
| SCHEMBL1312347 | 0.82 | GABRA1 (0.46) | GABRA1GABRB2ALDH1A1TSHROPRM1 | |
| SCHEMBL15267204 | 0.80 | TACR1 (0.45) | ALDH1A1TACR1KMT2A | |
| SCHEMBL16956285 | 0.80 | SLC6A4 (0.37) | NOS3NOS1NOS2GABRA1GABRB2 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116143574-B | Method for preparing 1-isobutyl-3, 5-dimethylbenzene and 1,3, 5-triisobutylbenzene from methyl isobutyl ketone | 南昌大学 | 2024-09-13 | — | — | CN | claimed |
| CN-116143574-A | Method for preparing 1-isobutyl-3, 5-dimethylbenzene and 1,3, 5-triisobutylbenzene from methyl isobutyl ketone | 南昌大学 | 2023-05-23 | — | — | CN | claimed |
| CN-116143574-B | Method for preparing 1-isobutyl-3, 5-dimethylbenzene and 1,3, 5-triisobutylbenzene from methyl isobutyl ketone | 南昌大学 | 2024-09-13 | — | — | CN | disclosed |
| CN-116143574-B | Method for preparing 1-isobutyl-3, 5-dimethylbenzene and 1,3, 5-triisobutylbenzene from methyl isobutyl ketone | 南昌大学 | 2024-09-13 | — | — | CN | disclosed |
| CN-116143574-B | Method for preparing 1-isobutyl-3, 5-dimethylbenzene and 1,3, 5-triisobutylbenzene from methyl isobutyl ketone | 南昌大学 | 2024-09-13 | — | — | CN | disclosed |
| CN-116143574-A | Method for preparing 1-isobutyl-3, 5-dimethylbenzene and 1,3, 5-triisobutylbenzene from methyl isobutyl ketone | 南昌大学 | 2023-05-23 | — | — | CN | disclosed |
| CN-116143574-A | Method for preparing 1-isobutyl-3, 5-dimethylbenzene and 1,3, 5-triisobutylbenzene from methyl isobutyl ketone | 南昌大学 | 2023-05-23 | — | — | CN | disclosed |
| CN-116143574-A | Method for preparing 1-isobutyl-3, 5-dimethylbenzene and 1,3, 5-triisobutylbenzene from methyl isobutyl ketone | 南昌大学 | 2023-05-23 | — | — | CN | disclosed |
| EP-1678138-A1 | PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV | Takeda Pharmaceutical Company Limited (JP) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005042488-A1 | PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-05-12 | — | — | WO | disclosed |
| EP-0138741-B1 | TEMPERATURE-INDICATING SHEET | Matsumoto Kosan Kabushiki Kaisha (JP) | 1990-11-07 | — | — | EP | disclosed |
| US-4601588-A | COMPONENT WHICH MELTS AT A PORESCRIBED TEMPERATURE AND CHANGES COLOR, INDICATING FRESHNESS OF FROZEN FOODS | MATSUMOTO KOSAN KABUSHIKI KAISHA (JP) | 1986-07-22 | — | — | US | disclosed |
| EP-0138741-A2 | Temperature-indicating sheet | Matsumoto Kosan Kabushiki Kaisha (JP) | 1985-04-24 | — | — | EP | disclosed |