Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28231389 | 0.98 | CYP1A2 (0.47) | CYP1A2KDM4EALDH1A1KDM4CCHRM5 | |
| SCHEMBL24568671 | 0.81 | KDM4E (0.66) | CYP1A2KDM4EALDH1A1KDM4CKMT2A | |
| SCHEMBL6225370 | 0.81 | GNAI3 (0.44) | CYP1A2CHRM5CHRM3KMT2A | |
| SCHEMBL787533 | 0.81 | CYP1A2 (0.69) | CYP1A2ALDH1A1CHRM5CHRM3KMT2A | |
| Hydrochloric Acid SCHEMBL15709524 | 0.79 | CYP1A2 (0.67) | CYP1A2ALDH1A1CHRM5CHRM3PKM | |
| SCHEMBL7511110 | 0.79 | ALDH1A1 (0.46) | CYP1A2KDM4EALDH1A1KDM4CKMT2A | |
| SCHEMBL8359845 | 0.79 | SMN1; SMN2 (0.66) | KDM4EALDH1A1KDM4CKMT2APKM | |
| SCHEMBL24567550 | 0.79 | SMN1; SMN2 (0.66) | KDM4EALDH1A1KDM4CKMT2APKM | |
| SCHEMBL8539756 | 0.78 | CYP1A2 (0.51) | CYP1A2CHRM5CHRM3KMT2APKM | |
| SCHEMBL21897237 | 0.77 | ALDH1A1 (0.49) | CYP1A2KDM4EALDH1A1KDM4CKMT2A |
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 |