Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | FYN | P06241 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.41 |
| ▸ | HPGD | P15428 | 6/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22876056 | 0.87 | CYP1A2 (0.47) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL13044699 | 0.82 | CYP1A2 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL22876057 | 0.82 | CYP1A2 (0.42) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL22876001 | 0.80 | SLC6A3 (0.45) | CYP1A2ALDH1A1HSD17B10HPGDTHRB | |
| SCHEMBL19395215 | 0.78 | PDK2 (0.46) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL19395217 | 0.78 | PDK2 (0.46) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL14970802 | 0.77 | PDK2 (0.46) | ALDH1A1THRBTSHRL3MBTL1TDP1 | |
| SCHEMBL27547728 | 0.77 | CYP1A2 (0.40) | CYP1A2ERBB2FYNMAOAACHE | |
| SCHEMBL4822724 | 0.74 | SLC6A3 (0.41) | CYP1A2ALDH1A1HSD17B10THRBTSHR | |
| SCHEMBL14970792 | 0.73 | PDK2 (0.46) | ALDH1A1THRBTSHRL3MBTL1TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210278766-A1 | COATING-TYPE COMPOSITION FOR FORMING ORGANIC FILM, PATTERNING PROCESS, POLYMER, AND METHOD FOR MANUFACTURING POLYMER | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2021-09-09 | — | — | US | disclosed |