Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP12 | P39900 | 2/20 | 0.53 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.52 |
| ▸ | ITGAV | P06756 | 3/20 | 0.52 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.49 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.49 |
| ▸ | ITGB8 | P26012 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.47 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.42 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL7357336 | 0.86 | ITGB3 (0.53) | MMP12ITGB3ITGAVITGB5ITGB6 | |
| Hydrochloric Acid SCHEMBL7171364 | 0.86 | ALDH1A1 (0.46) | MMP12ITGB3ITGAVITGB5ITGB6 | |
| SCHEMBL29178120 | 0.80 | ALDH1A1 (0.54) | ALDH1A1GPR139 | |
| SCHEMBL29178119 | 0.80 | ALDH1A1 (0.54) | ALDH1A1GPR139 | |
| SCHEMBL16563591 | 0.80 | MMP12 (0.49) | MMP12ITGB3ITGAVITGB5ITGB6 | |
| Hydrochloric Acid SCHEMBL27475549 | 0.79 | MME (0.58) | MMP12 | |
| SCHEMBL16563806 | 0.78 | MMP12 (0.57) | MMP12ITGB3ITGAVITGB5ITGB6 | |
| SCHEMBL28031292 | 0.78 | SMN1; SMN2 (0.56) | MMP12ITGB3ITGAVITGB5ITGB6 | |
| SCHEMBL16563382 | 0.78 | PDE2A (0.46) | MMP12ITGB3ITGAVITGB1ITGA4 | |
| Hydrochloric Acid SCHEMBL18989459 | 0.77 | SMN1; SMN2 (0.54) | MMP12ITGB3ITGAVITGB5ITGB6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1153014-A2 | BETA-ALANINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2001-11-14 | — | — | EP | disclosed |
| WO-2000048996-A2 | β-ALANINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2000-08-24 | — | — | WO | disclosed |