Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.41 |
| ▸ | PRKCZ | Q05513 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.35 |
| ▸ | ITGAV | P06756 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL7878249 | 0.83 | FFAR2 (0.54) | KDM4EFFAR2PRKCZRAB9ANPC1 | |
| SCHEMBL6941043 | 0.80 | ITGB3 (0.54) | ITGB1ITGB3ITGAV | |
| SCHEMBL6941095 | 0.71 | AKR1C3 (0.57) | RAB9ANPC1HTTSMN1; SMN2ALDH1A1 | |
| SCHEMBL3538175 | 0.70 | RAB9A (0.55) | KDM4EFFAR2RAB9ANPC1HTT | |
| SCHEMBL2302990 | 0.66 | PRKCZ (0.76) | KDM4EPRKCZRAB9ANPC1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL658839 | 0.65 | PRKCZ (0.74) | KDM4EPRKCZRAB9ANPC1SMN1; SMN2 | |
| SCHEMBL6763140 | 0.65 | ITGAV (0.56) | KDM4EFFAR2PRKCZRAB9ANPC1 | |
| SCHEMBL8328333 | 0.62 | ALPL (0.64) | RAB9ANPC1HTTSMN1; SMN2CYP3A4 | |
| SCHEMBL3541921 | 0.62 | RAB9A (0.62) | RAB9ANPC1HTTSMN1; SMN2CYP3A4 | |
| SCHEMBL3543587 | 0.61 | FFAR2 (0.54) | KDM4EFFAR2RAB9ANPC1HTT |
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-1097127-B1 | DIACYLHYDRAZINE DERIVATIVES AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2003-03-12 | — | — | EP | disclosed |
| US-6326403-B1 | CARDIOVASCULAR DISORDERS | MERCK PATENT GESELLSCHAFT MIT (DE) | 2001-12-04 | — | — | US | disclosed |