Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.30 |
| ▸ | ERN1 | O75460 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHKA | P35790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16825623 | 0.82 | CYP1A2 (0.33) | CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL262207 | 0.77 | ENPP2 (0.46) | CA1CA2ENPP2 | |
| SCHEMBL4716676 | 0.76 | HSP90AA1 (0.33) | — | |
| SCHEMBL568870 | 0.76 | ALDH1A1 (0.41) | CYP1A2CYP2C19SMN1; SMN2LMNAKDM4E | |
| Fluoride SCHEMBL28835775 | 0.76 | ENPP2 (0.44) | CA1CA2ENPP2 | |
| SCHEMBL14066349 | 0.75 | LMNA (0.35) | CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA | |
| SCHEMBL16429084 | 0.74 | ERN1 (0.30) | ERN1 | |
| SCHEMBL26924069 | 0.74 | ORAI1 (0.50) | KDM4ENPC1RAB9ACA1CA2 | |
| SCHEMBL26924303 | 0.74 | TRPV6 (0.55) | CA1CA2KIF11 | |
| SCHEMBL1485477 | 0.73 | USP2 (0.34) | CYP1A2CYP2C9CYP2C19SMN1; SMN2LMNA |
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-104755478-B | Serine/threonine kinase inhibitor | 霍夫曼-拉罗奇有限公司 | 2017-10-10 | — | — | CN | disclosed |
| CN-103384672-B | The substituted piperazine of N-pteridine and piperazine pteridinone | 武田药品工业株式会社 | 2016-09-28 | — | — | CN | disclosed |