Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.67 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.67 |
| ▸ | KCNK9 | Q9NPC2 | 2/20 | 0.67 |
| ▸ | LMNA | P02545 | 1/20 | 0.67 |
| ▸ | RAB9A | P51151 | 4/20 | 0.66 |
| ▸ | MAPT | P10636 | 2/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.63 |
| ▸ | NPC1 | O15118 | 2/20 | 0.63 |
| ▸ | POLB | P06746 | 1/20 | 0.63 |
| ▸ | RECQL | P46063 | 1/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.63 |
| ▸ | USP2 | O75604 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL23011774 | 0.89 | ALDH1A1 (0.84) | ALDH1A1MAPK1KCNK3KCNK9LMNA | |
| SCHEMBL3407364 | 0.82 | PTPN2 (0.75) | LMNARAB9AMAPTSMN1; SMN2KMT2A | |
| SCHEMBL259427 | 0.81 | KCNK3 (0.82) | ALDH1A1MAPK1KCNK3KCNK9LMNA | |
| SCHEMBL5115718 | 0.81 | RAB9A (0.69) | ALDH1A1MAPK1KCNK3KCNK9LMNA | |
| SCHEMBL6632563 | 0.81 | RAB9A (0.68) | ALDH1A1MAPK1KCNK3KCNK9LMNA | |
| SCHEMBL3647264 | 0.81 | ALDH1A1 (0.68) | ALDH1A1MAPK1KCNK3KCNK9LMNA | |
| SCHEMBL18906010 | 0.81 | ALDH1A1 (0.68) | ALDH1A1MAPK1KCNK3KCNK9LMNA | |
| SCHEMBL18906020 | 0.80 | RAB9A (0.79) | ALDH1A1MAPK1KCNK3KCNK9LMNA | |
| SCHEMBL23011784 | 0.80 | PKM (0.68) | ALDH1A1MAPK1LMNARAB9AMAPT | |
| SCHEMBL18906009 | 0.80 | ALDH1A1 (0.67) | ALDH1A1MAPK1KCNK3KCNK9LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0793656-B1 | NOVEL BENZYL PYRIMIDINES | BASILEA PHARMACEUTICA AG (CH) | 2003-03-26 | — | — | EP | disclosed |
| US-5763450-A | BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES | HOFFMANN-LA ROCHE INC. (US) | 1998-06-09 | — | — | US | disclosed |
| EP-0793656-A1 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-09-10 | — | — | EP | disclosed |
| WO-1996016046-A2 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1996-05-30 | — | — | WO | disclosed |