Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7141056 | 0.82 | MYC (0.39) | HTR2BHTR7PDK2ACHEALDH1A1 | |
| SCHEMBL5684539 | 0.79 | TDP1 (0.40) | CYP1A2CYP2A6ACHEALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL28219420 | 0.78 | HTR7 (0.37) | HTR2BHTR7PDK2CYP1A2CYP2A6 | |
| Hydrochloric Acid SCHEMBL5985822 | 0.77 | TDP1 (0.38) | CYP1A2CYP2A6ACHEALDH1A1HPGD | |
| Chloromethane SCHEMBL8157141 | 0.71 | PDK2 (0.38) | PDK2CYP1A2CYP2A6ALDH1A1HPGD | |
| SCHEMBL28302269 | 0.71 | ACHE (0.40) | CYP1A2CYP2A6ACHESLC6A2SLC6A4 | |
| SCHEMBL31049807 | 0.69 | PDK2 (0.46) | PDK2CYP1A2CYP2A6CYP2C19ACHE | |
| SCHEMBL18976832 | 0.66 | ACHE (0.46) | CYP1A2CYP2A6ACHEALDH1A1NPC1 | |
| SCHEMBL28025424 | 0.66 | PDK2 (0.41) | PDK2CYP1A2CYP2A6POLBCYP2C19 | |
| SCHEMBL28023973 | 0.66 | HTR7 (0.35) | HTR2BHTR7PDK2CYP1A2CYP2A6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109824802-A | Metallocenic compound, catalyst system and the polymerization using them of bridging | 埃克森美孚化学专利公司 | 2019-05-31 | — | — | CN | claimed |
| CN-109824802-A | Metallocenic compound, catalyst system and the polymerization using them of bridging | 埃克森美孚化学专利公司 | 2019-05-31 | — | — | CN | disclosed |