Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 3/20 | 0.53 |
| ▸ | ITGAV | P06756 | 3/20 | 0.53 |
| ▸ | ITGB5 | P18084 | 2/20 | 0.53 |
| ▸ | ITGB6 | P18564 | 2/20 | 0.53 |
| ▸ | ITGB8 | P26012 | 1/20 | 0.51 |
| ▸ | MMP12 | P39900 | 2/20 | 0.51 |
| ▸ | MME | P08473 | 1/20 | 0.47 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.47 |
| ▸ | CTSA | P10619 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | WDR5 | P61964 | 1/20 | 0.44 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.42 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.42 |
| ▸ | PLA2G5 | P39877 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL25625541 | 0.88 | GPR139 (0.46) | ITGB3ITGAVITGB5ITGB6ITGB8 | |
| Hydrochloric Acid SCHEMBL7173937 | 0.87 | GPR139 (0.45) | ITGB3ITGAVITGB5ITGB6ITGB8 | |
| SCHEMBL7399855 | 0.86 | MMP12 (0.53) | ITGB3ITGAVITGB5ITGB6ITGB8 | |
| SCHEMBL23679227 | 0.82 | ITGB3 (0.49) | ITGB3ITGAVITGB5ITGB6ITGB8 | |
| SCHEMBL30412921 | 0.81 | ITGB3 (0.49) | ITGB3ITGAVITGB5ITGB6ITGB8 | |
| SCHEMBL20764649 | 0.81 | ITGB3 (0.49) | ITGB3ITGAVITGB5ITGB6ITGB8 | |
| SCHEMBL20764626 | 0.79 | KMT2A (0.61) | MMP12MMEGPR139CTSASMN1; SMN2 | |
| SCHEMBL30412148 | 0.79 | KMT2A (0.61) | MMP12MMEGPR139CTSASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL27458420 | 0.79 | MME (0.62) | MMETRPM8FFAR1 | |
| SCHEMBL28031292 | 0.78 | SMN1; SMN2 (0.56) | ITGB3ITGAVITGB5ITGB6MMP12 |
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 |