Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CHKA | P35790 | 1/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.38 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL787533 | 0.84 | CYP1A2 (0.69) | CYP1A2CHRM5CHRM3PKMSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL15709524 | 0.82 | CYP1A2 (0.67) | CYP1A2CHRM5CHRM3PKMSMN1; SMN2 | |
| SCHEMBL14752974 | 0.82 | SMN1; SMN2 (0.50) | CYP1A2PKMSMN1; SMN2POLBCYP2C9 | |
| SCHEMBL22436193 | 0.82 | SMN1; SMN2 (0.50) | CYP1A2PKMSMN1; SMN2POLBCYP2C9 | |
| SCHEMBL24567519 | 0.82 | SMN1; SMN2 (0.50) | CYP1A2PKMSMN1; SMN2POLBCYP2C9 | |
| SCHEMBL24567507 | 0.82 | SMN1; SMN2 (0.50) | CYP1A2PKMSMN1; SMN2POLBCYP2C9 | |
| SCHEMBL30404878 | 0.80 | CYP1A2 (0.47) | CYP1A2CHRM5CHRM3PKMSMN1; SMN2 | |
| SCHEMBL8520670 | 0.78 | CYP1A2 (0.49) | CYP1A2CHRM5CHRM3PKMSMN1; SMN2 | |
| SCHEMBL31618840 | 0.78 | MEN1 (0.51) | CYP1A2CHRM5CHRM3PKMSMN1; SMN2 | |
| SCHEMBL24568864 | 0.77 | SMN1; SMN2 (0.70) | PKMSMN1; SMN2CYP2C9KMT2ACYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012068450-A1 | CYCLOBUTYL SUBSTITUTED PYRROLOPYRIDINE AND PYRROLOPYRIMIDINE DERIVATIVES AS JAK INHIBITORS | INCYTE CORPORATION (US) | 2012-05-24 | — | — | WO | disclosed |