Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB5 | P28074 | 9/20 | 0.40 |
| ▸ | PSMB8 | P28062 | 7/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.36 |
| ▸ | ITGAV | P06756 | 4/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.36 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7408880 | 1.00 | PSMB5 (0.40) | PSMB5PSMB8KDM4EALDH1A1ADRB2 | |
| SCHEMBL7882801 | 0.85 | ALDH1A1 (0.41) | KDM4EALDH1A1ITGB3ITGAVKDM4C | |
| SCHEMBL6941352 | 0.73 | ITGB3 (0.47) | ITGB3ITGAVITGA2B | |
| SCHEMBL3043953 | 0.72 | ALDH1A1 (0.54) | KDM4EALDH1A1ADRB2ADRB1ADRB3 | |
| Hydrochloric Acid SCHEMBL31306628 | 0.70 | ALDH1A1 (0.53) | KDM4EALDH1A1ADRB2ADRB1ADRB3 | |
| Hydrochloric Acid SCHEMBL21198410 | 0.70 | ALDH1A1 (0.53) | KDM4EALDH1A1ADRB2ADRB1ADRB3 | |
| SCHEMBL6934969 | 0.70 | ITGB3 (0.51) | ALDH1A1ITGB3ITGAVITGA2BLMNA | |
| SCHEMBL8545999 | 0.67 | ALDH1A1 (0.49) | KDM4EALDH1A1ADRB2ADRB1ADRB3 | |
| SCHEMBL7188655 | 0.66 | SMN1; SMN2 (0.54) | KDM4EALDH1A1KDM4CLMNA | |
| SCHEMBL8543766 | 0.65 | ALDH1A1 (0.55) | KDM4EALDH1A1KDM4CLMNA |
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-1097127-B1 | DIACYLHYDRAZINE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2003-03-12 | — | — | EP | disclosed |