Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.36 |
| ▸ | CHRNB3 | Q05901 | 1/20 | 0.36 |
| ▸ | CHRNA6 | Q15825 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.35 |
| ▸ | JAK2 | O60674 | 2/20 | 0.34 |
| ▸ | JAK1 | P23458 | 2/20 | 0.34 |
| ▸ | JAK3 | P52333 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | QDPR | P09417 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18478943 | 0.89 | ALDH1A1 (0.40) | DPP4EPHX2EPHX1CHRNB2CHRNA3 | |
| SCHEMBL18478125 | 0.89 | ALDH1A1 (0.40) | DPP4EPHX2EPHX1CHRNB2CHRNA3 | |
| SCHEMBL6107767 | 0.88 | EPHX2 (0.43) | DPP4EPHX2EPHX1CYP1A2TDP1 | |
| SCHEMBL27510701 | 0.83 | F2R (0.36) | DPP4JAK2JAK1JAK3 | |
| SCHEMBL8141531 | 0.83 | — | — | |
| SCHEMBL16416429 | 0.82 | JAK1 (0.33) | JAK2JAK1JAK3KDM4E | |
| SCHEMBL5127466 | 0.82 | JAK1 (0.33) | JAK2JAK1JAK3KDM4E | |
| SCHEMBL4666715 | 0.82 | JAK1 (0.33) | JAK2JAK1JAK3KDM4E | |
| SCHEMBL27626212 | 0.80 | GAA (0.33) | DPP4JAK2JAK1JAK3 | |
| SCHEMBL15796013 | 0.80 | JAK1 (0.32) | JAK2JAK1JAK3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021053617-A1 | MLL1 INHIBITORS AND ANTI-CANCER AGENTS | NOVARTIS AG (CH) | 2021-03-25 | — | — | WO | disclosed |
| EP-3092229-B1 | PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2018-03-28 | — | — | EP | disclosed |
| WO-2015103509-A1 | PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-07-09 | — | — | WO | disclosed |