Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | SORD | Q00796 | 2/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ADRB2 | P07550 | 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 | |
|---|---|---|---|---|
| SCHEMBL23753976 | 1.00 | ALDH1A1 (0.32) | ALDH1A1HPGDHSD17B10TSHRHIF1A | |
| SCHEMBL31033204 | 0.81 | KLKB1 (0.40) | ALDH1A1HPGDHSD17B10TSHRHIF1A | |
| SCHEMBL21712931 | 0.81 | KLKB1 (0.40) | ALDH1A1HPGDHSD17B10TSHRHIF1A | |
| SCHEMBL23769138 | 0.81 | ALDH1A1 (0.32) | ALDH1A1HPGDHSD17B10TSHRHIF1A | |
| SCHEMBL23754040 | 0.79 | TRPV3 (0.34) | ALDH1A1HPGDHSD17B10TSHRHIF1A | |
| SCHEMBL31357730 | 0.79 | TRPV3 (0.34) | ALDH1A1HPGDHSD17B10TSHRHIF1A | |
| SCHEMBL23769144 | 0.75 | SMPD3 (0.38) | SORDKLKB1 | |
| SCHEMBL12993437 | 0.75 | GAA (0.46) | ALDH1A1TSHRCYP2D6CYP1A2USP2 | |
| SCHEMBL23753979 | 0.75 | KLKB1 (0.34) | KLKB1ADRB2 | |
| SCHEMBL31357699 | 0.75 | KLKB1 (0.34) | KLKB1ADRB2 |
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-115087652-B | Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein | 勃林格殷格翰国际有限公司 | 2024-05-07 | — | — | CN | disclosed |
| CN-115087652-A | Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors | 勃林格殷格翰国际有限公司 | 2022-09-20 | — | — | CN | disclosed |