Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | USP2 | O75604 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | APAF1 | O14727 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20669337 | 1.00 | CYP1A2 (0.42) | CYP1A2CYP2D6USP2CYP3A4CYP2C9 | |
| SCHEMBL21981366 | 0.88 | OPRM1 (0.41) | CYP1A2CYP2D6USP2CYP3A4CYP2C9 | |
| SCHEMBL20669107 | 0.88 | OPRM1 (0.41) | CYP1A2CYP2D6USP2CYP3A4CYP2C9 | |
| SCHEMBL3259891 | 0.78 | LMNA (0.51) | USP2RECQLLMNAHPGDALOX15 | |
| SCHEMBL3259889 | 0.78 | LMNA (0.51) | USP2RECQLLMNAHPGDALOX15 | |
| SCHEMBL21981431 | 0.75 | ATM (0.51) | CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL20669335 | 0.75 | ATM (0.51) | CYP1A2CYP2D6CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1587083 | 0.69 | CYP3A4 (0.39) | CYP1A2CYP2D6USP2CYP3A4CYP2C9 | |
| SCHEMBL3100018 | 0.69 | ALDH1A1 (0.53) | RECQLLMNAHPGDTP53TDP1 | |
| SCHEMBL17389454 | 0.67 | HPGD (0.78) | USP2RECQLLMNAHPGDALOX15 |
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-2019015644-A1 | PEPTIDE AMIDE COMPOUND AND PREPARATION METHOD AND MEDICAL USE THEREOF | 四川海思科制药有限公司 | 2019-01-24 | — | — | WO | disclosed |