Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | GLA | P06280 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL40471 | 0.97 | ALDH1A1 (0.50) | ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1 | |
| SCHEMBL28040790 | 0.94 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1 | |
| SCHEMBL2522239 | 0.75 | ALDH1A1 (0.41) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL814247 | 0.74 | CYP1A2 (0.48) | ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1 | |
| SCHEMBL149754 | 0.73 | ALDH1A1 (0.55) | ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1 | |
| Triphenylene SCHEMBL28075721 | 0.72 | HPRT1 (0.59) | ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1 | |
| Anthracene SCHEMBL115040 | 0.71 | CYP2A6 (0.58) | ALDH1A1HSD17B10HIF1AL3MBTL1CYP1A2 | |
| SCHEMBL28383579 | 0.71 | ALDH1A1 (0.52) | ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1 | |
| SCHEMBL16564094 | 0.70 | ALDH1A1 (0.55) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL1973685 | 0.70 | ALDH1A1 (0.52) | ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102666561-B | Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement | SUMITOMO CHEMICAL CO.,LTD. (JP) | 2015-11-25 | — | — | CN | disclosed |