Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.40 |
| ▸ | MDM4 | O15151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| O-Xylene SCHEMBL28512915 | 0.88 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL4412 | 0.84 | — | — | |
| Acetic Acid SCHEMBL28563384 | 0.82 | HCAR2 (0.47) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL28285089 | 0.82 | — | — | |
| Alcohol SCHEMBL28357108 | 0.80 | HCAR2 (0.43) | CYP1A2CYP2C9CYP2C19MAPTNPSR1 | |
| Toluene SCHEMBL1396212 | 0.79 | MEN1 (0.49) | MEN1KMT2AMAPTTSHRLMNA | |
| Methylene Chloride SCHEMBL27697374 | 0.78 | HCAR2 (0.42) | CYP1A2CYP2C9CYP2C19MAPTNPSR1 | |
| SCHEMBL27338823 | 0.78 | MGLL (0.53) | MAPTTSHRNPSR1LMNAALDH1A1 | |
| Acrylic Acid Ethyl Ester SCHEMBL7116609 | 0.77 | THRB (0.53) | MEN1KMT2AMAPTTSHRLMNA | |
| 1,2-Dichloroethane SCHEMBL28431339 | 0.77 | HCAR2 (0.41) | CYP1A2CYP2C9CYP2C19MAPTNPSR1 |
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-114206901-B | Process for producing peptide compound | 日产化学株式会社 | 2024-02-20 | — | — | CN | disclosed |
| WO-2023163140-A1 | INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | 日本たばこ産業株式会社 | 2023-08-31 | — | — | WO | disclosed |
| CN-114206901-A | Method for producing peptide compound | 日产化学株式会社 | 2022-03-18 | — | — | CN | disclosed |
| WO-2021039901-A1 | METHOD FOR PRODUCING PEPTIDE COMPOUND | 日産化学株式会社 | 2021-03-04 | — | — | WO | disclosed |
| WO-2009141412-A1 | 1,6-DISUBSTITUTED 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES FOR USE AS TRIPLE REUPTAKE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2009-11-26 | — | — | WO | disclosed |