Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | RAD52 | P43351 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL45801 | 0.86 | RAD52 (0.50) | CA12CA1CA2CA9HPGD | |
| Hydrochloric Acid SCHEMBL2730502 | 0.84 | RAD52 (0.49) | CA12CA1CA2CA9HPGD | |
| SCHEMBL1321471 | 0.81 | RAD52 (0.64) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL3637669 | 0.78 | RAD52 (0.44) | CA12CA1CA2CA9HPGD | |
| SCHEMBL3585953 | 0.74 | RAD52 (0.51) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL24068189 | 0.74 | VCP (0.42) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL18935690 | 0.74 | ALDH1A1 (0.40) | CA12CA1CA2CA9HPGD | |
| SCHEMBL4401738 | 0.73 | CA12 (0.53) | CA12CA1CA2CA9HPGD | |
| SCHEMBL6977228 | 0.73 | HPGD (0.51) | HPGDDUSP3ALDH1A1KEAP1SMN1; SMN2 | |
| SCHEMBL24960542 | 0.73 | CA12 (0.42) | CA12CA1CA2CA9HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-3380474-B1 | JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF | HOFFMANN LA ROCHE (CH) | 2019-08-21 | — | — | EP | disclosed |
| WO-2017089390-A1 | JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-06-01 | — | — | WO | disclosed |