Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.40 |
| ▸ | CCR9 | P51686 | 2/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16168681 | 0.88 | CYP2A6 (0.47) | ACSS2CYP2A6CYP11B2CYP11B1CCR9 | |
| SCHEMBL7435149 | 0.85 | ACSS2 (0.44) | ACSS2CYP2A6CYP11B2CYP11B1CCR9 | |
| SCHEMBL7220183 | 0.85 | CYP11B2 (0.43) | ACSS2CYP2A6CYP11B2CYP11B1CCR9 | |
| SCHEMBL7495800 | 0.85 | ACSS2 (0.41) | ACSS2CYP2A6CYP11B2CYP11B1CCR9 | |
| SCHEMBL7490683 | 0.82 | HRH3 (0.50) | HRH3 | |
| SCHEMBL7491878 | 0.81 | SLC6A4 (0.38) | ACSS2CYP11B2CYP11B1CCR9HRH3 | |
| SCHEMBL7491888 | 0.81 | SLC6A4 (0.38) | ACSS2CYP11B2CYP11B1CCR9HRH3 | |
| SCHEMBL27380467 | 0.80 | CYP11B2 (0.36) | ACSS2CYP2A6CYP11B2CYP11B1CCR9 | |
| SCHEMBL7491601 | 0.80 | CYP11B2 (0.46) | ACSS2CYP2A6CYP11B2CYP11B1CCR9 | |
| SCHEMBL7490721 | 0.78 | SLC6A4 (0.48) | ACSS2CYP11B2HRH3TSHRHSD17B10 |
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-1079396-C | Aromatic amidine derivatives useful as selective thrombin inhibitors | C & C RES LAB (KR) | 2002-02-20 | — | — | CN | disclosed |
| CN-1219932-A | Aromatic amidine derivatives useful as selective thrombin inhibitors | C & C RESEARCH LAB (KR) | 1999-06-16 | — | — | CN | disclosed |