Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.32 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29906581 | 0.87 | ALDH1A1 (0.45) | ALDH1A1LMNASMN1; SMN2HPGDGLA | |
| SCHEMBL23769303 | 0.87 | ALDH1A1 (0.45) | ALDH1A1LMNASMN1; SMN2HPGDGLA | |
| SCHEMBL23769307 | 0.87 | ALDH1A1 (0.44) | ALDH1A1LMNASMN1; SMN2HPGDGLA | |
| SCHEMBL23769210 | 0.85 | KLKB1 (0.38) | KLKB1 | |
| SCHEMBL23769665 | 0.85 | ALDH1A1 (0.47) | ALDH1A1LMNASMN1; SMN2HPGDGLA | |
| SCHEMBL23769350 | 0.85 | ALDH1A1 (0.47) | ALDH1A1LMNASMN1; SMN2HPGDGLA | |
| SCHEMBL23769249 | 0.80 | ALDH1A1 (0.46) | ALDH1A1LMNASMN1; SMN2HPGDGLA | |
| SCHEMBL23754013 | 0.77 | ALDH1A1 (0.48) | ALDH1A1LMNASMN1; SMN2HPGDGLA | |
| SCHEMBL23769260 | 0.77 | ALDH1A1 (0.48) | ALDH1A1LMNASMN1; SMN2HPGDGLA | |
| SCHEMBL30087502 | 0.77 | ALDH1A1 (0.48) | ALDH1A1LMNASMN1; SMN2HPGDGLA |
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-2021160718-A1 | HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2021-08-19 | — | — | WO | disclosed |