Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | FBP1 | P09467 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | BRS3 | P32247 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL27905069 | 0.79 | SMN1; SMN2 (0.72) | CYP2A6KDM4ESMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL2730703 | 0.76 | CYP2A6 (1.00) | CYP2A6KDM4ESMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL9363173 | 0.75 | KDM4E (0.60) | CYP2A6KDM4ESMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL25614362 | 0.74 | CYP2A6 (0.50) | CYP2A6KDM4ESMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL31157148 | 0.74 | CYP2A6 (0.50) | CYP2A6KDM4ESMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL3315428 | 0.74 | CYP2A6 (0.50) | CYP2A6KDM4ESMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL1009561 | 0.73 | CYP2A6 (0.64) | CYP2A6KDM4ESMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL10508046 | 0.73 | SMN1; SMN2 (0.59) | CYP2A6KDM4ESMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL28108762 | 0.73 | KDM4E (0.64) | CYP2A6KDM4ESMN1; SMN2ALDH1A1CYP1A2 | |
| SCHEMBL12414654 | 0.73 | CYP2A6 (0.44) | CYP2A6KDM4ESMN1; SMN2ALDH1A1CYP1A2 |
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-105008346-B | Pyrimidine derivatives as phosphodiesterase 10(PDE-10) inhibitors | 帕罗生物制药有限公司 | 2018-11-13 | — | — | CN | disclosed |
| CN-102548980-A | 5-fluoropyrimidinone derivatives | DOW AGROSCIENCES LLC | 2012-07-04 | — | — | CN | disclosed |