Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 5/20 | 0.61 |
| ▸ | BTK | Q06187 | 7/20 | 0.46 |
| ▸ | RAB9A | P51151 | 6/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KLK1 | P06870 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18795838 | 0.89 | KLKB1 (0.61) | KLKB1BTKRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL18796211 | 0.89 | KLKB1 (0.61) | KLKB1BTKRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL24316756 | 0.89 | KLKB1 (0.61) | KLKB1BTKRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL20538997 | 0.88 | KLKB1 (0.61) | KLKB1BTKRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL20538998 | 0.88 | KLKB1 (0.61) | KLKB1BTKRAB9ASMN1; SMN2ALDH1A1 | |
| Lithium Ion SCHEMBL29536224 | 0.87 | KLKB1 (0.62) | KLKB1BTKRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL21953537 | 0.85 | BTK (0.56) | KLKB1BTKGRM2 | |
| SCHEMBL18823654 | 0.83 | KLKB1 (0.51) | KLKB1BTKRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL20549564 | 0.82 | BTK (0.59) | KLKB1BTKRAB9ANPC1HPGD | |
| SCHEMBL18815404 | 0.82 | BTK (0.59) | KLKB1BTKRAB9ANPC1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-3368529-B1 | HETEROARYLCARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2022-04-06 | — | — | EP | disclosed |