Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | USP2 | O75604 | 5/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.32 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20731233 | 0.87 | CYP3A4 (0.51) | CYP3A4ALDH1A1CYP2D6CYP1A2USP2 | |
| SCHEMBL17284523 | 0.86 | — | — | |
| SCHEMBL17826732 | 0.80 | CYP3A4 (0.45) | CYP3A4ALDH1A1CYP2D6CYP1A2USP2 | |
| SCHEMBL27288028 | 0.78 | TSHR (0.46) | CYP3A4ALDH1A1CYP2D6CYP1A2USP2 | |
| SCHEMBL18974732 | 0.77 | CYP3A4 (0.42) | CYP3A4ALDH1A1CYP2D6CYP1A2USP2 | |
| SCHEMBL22450562 | 0.77 | CYP3A4 (0.42) | CYP3A4ALDH1A1CYP2D6CYP1A2USP2 | |
| SCHEMBL801167 | 0.77 | CYP3A4 (0.42) | CYP3A4ALDH1A1CYP2D6CYP1A2USP2 | |
| SCHEMBL16580051 | 0.77 | CYP2D6 (0.42) | CYP3A4ALDH1A1CYP2D6CYP1A2USP2 | |
| SCHEMBL165883 | 0.77 | CYP2D6 (0.42) | CYP3A4ALDH1A1CYP2D6CYP1A2USP2 | |
| SCHEMBL1793924 | 0.75 | CYP2D6 (0.41) | CYP3A4ALDH1A1CYP2D6CYP1A2USP2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3386505-B1 | AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS INC (US) | 2020-09-23 | — | — | EP | disclosed |
| WO-2017100601-A1 | AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2017-06-15 | — | — | WO | disclosed |
| EP-1790639-B1 | SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS | ONO PHARMACEUTICAL CO (JP) | 2014-03-26 | — | — | EP | disclosed |