Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A3 | P43003 | 1/20 | 0.50 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.50 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.50 |
| ▸ | CTSA | P10619 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MMP12 | P39900 | 2/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | MMP9 | P14780 | 1/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | UTS2R | Q9UKP6 | 9/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.41 |
| ▸ | ITGAV | P06756 | 2/20 | 0.41 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.41 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.41 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6545572 | 0.88 | CTSA (0.54) | CTSASMN1; SMN2MMP12MMP3MMP9 | |
| SCHEMBL6673673 | 0.87 | UTS2R (0.45) | SLC1A3SLC1A2SLC1A1CTSAUTS2R | |
| Hydrochloric Acid SCHEMBL7173689 | 0.86 | UTS2R (0.46) | SLC1A3SLC1A2SLC1A1CTSAUTS2R | |
| SCHEMBL28031292 | 0.82 | SMN1; SMN2 (0.56) | SMN1; SMN2MMP12MMP3MMP9MMP8 | |
| Hydrochloric Acid SCHEMBL18989459 | 0.81 | SMN1; SMN2 (0.54) | SMN1; SMN2MMP12MMP3MMP9MMP8 | |
| Hydrochloric Acid SCHEMBL7138695 | 0.81 | SMN1; SMN2 (0.54) | SMN1; SMN2MMP12MMP3MMP9MMP8 | |
| SCHEMBL7436918 | 0.81 | ITGAV (0.53) | CTSASMN1; SMN2ITGB3ITGAVITGA2B | |
| SCHEMBL7362926 | 0.80 | KEAP1 (0.53) | CTSASMN1; SMN2ITGB3ITGA2B | |
| SCHEMBL5573085 | 0.76 | NR1H4 (0.56) | SMN1; SMN2UTS2RITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL23001124 | 0.76 | TPH1 (0.55) | SLC1A3SLC1A2SLC1A1SMN1; SMN2UTS2R |
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 |