Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.42 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | HRH1 | P35367 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | HTR2B | P41595 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29016041 | 0.90 | TDP1 (0.47) | TDP1CYP1A2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL29016000 | 0.82 | RAB9A (0.50) | TDP1CYP1A2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL8349531 | 0.80 | TDP1 (0.68) | TDP1CYP1A2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL29016002 | 0.79 | CYP4F2 (0.50) | TDP1CYP1A2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL10204897 | 0.79 | SLC7A5 (0.50) | TDP1SMN1; SMN2KMT2ALMNAALDH1A1 | |
| SCHEMBL29015985 | 0.78 | CYP4F2 (0.52) | CYP1A2SMN1; SMN2NPC1RAB9ACYP2C9 | |
| SCHEMBL29016059 | 0.78 | TSHR (0.47) | TDP1CYP1A2SMN1; SMN2RAB9ALMNA | |
| SCHEMBL1790947 | 0.77 | CYP4F2 (0.51) | CYP1A2SMN1; SMN2NPC1RAB9ACYP2C9 | |
| SCHEMBL29105183 | 0.77 | TDP1 (0.41) | TDP1CYP1A2SMN1; SMN2NPC1RAB9A | |
| SCHEMBL1787505 | 0.76 | HDAC4 (0.51) | RAB9ALMNAALDH1A1CASRKDM4E |
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-112759531-B | Novel imine compound and preparation method thereof | 中国石油化工股份有限公司 | 2023-07-21 | — | — | CN | disclosed |
| CN-112759675-B | Catalyst component for preparing polyolefin, catalyst and application thereof | 中国石油化工股份有限公司 | 2023-05-02 | — | — | CN | disclosed |