Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | IKBKB | O14920 | 1/20 | 0.30 |
| ▸ | CHUK | O15111 | 1/20 | 0.30 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.30 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.30 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.30 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.30 |
| ▸ | KAT2B | Q92831 | 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 | |
|---|---|---|---|---|
| SCHEMBL22400499 | 1.00 | TP53 (0.34) | TP53MAP2K1CYP1A2POLBCYP2C9 | |
| SCHEMBL29883624 | 0.90 | MAPT (0.35) | TP53MAP2K1CYP1A2POLBCYP2C9 | |
| SCHEMBL20954574 | 0.83 | KDM4E (0.36) | TP53CYP1A2POLBCYP2C9CYP2C19 | |
| SCHEMBL20954626 | 0.76 | ELANE (0.36) | CYP1A2KDM4EALDH1A1IKBKBCHUK | |
| SCHEMBL20954496 | 0.68 | CYP2A6 (0.52) | KMT2ANPSR1KDM4EALDH1A1IKBKB | |
| SCHEMBL29105661 | 0.67 | GRM4 (0.32) | KAT2B | |
| SCHEMBL29882697 | 0.66 | CYP19A1 (0.32) | KDM4EALDH1A1 | |
| SCHEMBL29882927 | 0.65 | ELANE (0.33) | CYP1A2POLBCYP2C9CYP2C19KMT2A | |
| SCHEMBL20976689 | 0.65 | PDE10A (0.34) | POLBKMT2ANPSR1 | |
| SCHEMBL9754157 | 0.63 | KDM4E (0.48) | CYP1A2NPSR1TDP1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111491935-B | Novel analogs as modulators of androgen and glucocorticoid receptors | 昂科斯特拉公司 | 2023-08-22 | — | — | CN | disclosed |
| CN-111491935-A | Novel analogs as androgen receptor and glucocorticoid receptor modulators | 昂科斯特拉公司 | 2020-08-04 | — | — | CN | disclosed |