Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 7/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 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 | |
|---|---|---|---|---|
| SCHEMBL12235261 | 0.81 | ERN1 (0.42) | CYP2C9CYP3A4CYP2C19ERN1MEN1 | |
| SCHEMBL22902565 | 0.78 | ERN1 (0.42) | ERN1MEN1KMT2ALMNAALDH1A1 | |
| SCHEMBL2891346 | 0.76 | CYP2C9 (0.41) | CYP2C9CYP3A4CYP2C19ERN1MEN1 | |
| SCHEMBL22877105 | 0.75 | CA12 (0.30) | CA12CA1CA2CA4CA6 | |
| SCHEMBL3703248 | 0.75 | ALDH1A1 (0.38) | CYP2C9CYP3A4CYP2C19ERN1MEN1 | |
| SCHEMBL31685229 | 0.74 | CYP2C9 (0.46) | CYP2C9CYP3A4CYP2C19ERN1MEN1 | |
| SCHEMBL415893 | 0.74 | CYP2C9 (0.46) | CYP2C9CYP3A4CYP2C19ERN1MEN1 | |
| SCHEMBL10290089 | 0.73 | CYP3A4 (0.36) | CYP2C9CYP3A4CYP2C19ERN1MEN1 | |
| SCHEMBL6856210 | 0.72 | CYP2C9 (0.37) | CYP2C9CYP3A4CYP2C19ERN1MEN1 | |
| SCHEMBL1695346 | 0.71 | ERN1 (0.42) | CYP3A4ERN1MEN1KMT2AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102666545-B | As the heterocycle Pyrazolopyrimidine analogs of JAK inhibitor | CELLZOME LTD. (GB) | 2016-04-06 | — | — | CN | disclosed |