Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 1/20 | 0.51 |
| ▸ | ITGAV | P06756 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 6/20 | 0.47 |
| ▸ | RAB9A | P51151 | 6/20 | 0.47 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.47 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.46 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | JAK1 | P23458 | 1/20 | 0.45 |
| ▸ | TYK2 | P29597 | 1/20 | 0.45 |
| ▸ | TPMT | P51580 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | FLT3 | P36888 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28056305 | 0.83 | MEN1 (0.53) | ITGB3ITGAVNPC1RAB9AJAK2 | |
| SCHEMBL7105114 | 0.81 | NPC1 (0.63) | ITGB3ITGAVNPC1RAB9AHCAR3 | |
| SCHEMBL30073949 | 0.81 | NPC1 (0.63) | ITGB3ITGAVNPC1RAB9AHCAR3 | |
| SCHEMBL4872174 | 0.79 | HCAR3 (0.63) | NPC1RAB9AHCAR3SMN1; SMN2MEN1 | |
| SCHEMBL11566473 | 0.75 | HCAR3 (0.67) | HCAR3 | |
| SCHEMBL6841330 | 0.74 | RAB9A (0.56) | NPC1RAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL18086899 | 0.74 | KDM4C (0.58) | NPC1RAB9AJAK2JAK1TYK2 | |
| SCHEMBL3957102 | 0.73 | HTR3E (0.58) | NPC1MEN1KMT2AGRM4HDAC6 | |
| Hydrochloric Acid SCHEMBL12483461 | 0.73 | GAA (0.56) | NPC1RAB9AGRIK1JAK2JAK1 | |
| SCHEMBL5177040 | 0.72 | KDM4E (0.55) | TPMTADORA2AADORA1 |
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 |