Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | PKM | P14618 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.60 |
| ▸ | RELA | Q04206 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 5/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 11/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 11/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL30615467 | 1.00 | NPC1 (0.69) | NPC1ALDH1A1MAPK1MAPTPKM | |
| SCHEMBL9536527 | 0.82 | NPC1 (1.00) | NPC1ALDH1A1MAPK1MAPTPKM | |
| SCHEMBL27891369 | 0.82 | APLNR (0.47) | NPC1ALDH1A1MAPK1MAPTPKM | |
| SCHEMBL1082046 | 0.81 | MAPK8 (0.50) | NPC1ALDH1A1MAPK1MAPTPKM | |
| SCHEMBL17105635 | 0.80 | CYP1A2 (0.51) | NPC1ALDH1A1MAPK1MAPTMEN1 | |
| SCHEMBL30080224 | 0.80 | CYP1A2 (0.56) | NPC1ALDH1A1MAPK1MAPTPKM | |
| SCHEMBL29581979 | 0.80 | CYP1A2 (0.56) | NPC1ALDH1A1MAPK1MAPTPKM | |
| SCHEMBL25192890 | 0.79 | CYP1A2 (0.50) | NPC1ALDH1A1MAPK1MAPTSMN1; SMN2 | |
| SCHEMBL30443923 | 0.79 | CYP1A2 (0.50) | NPC1ALDH1A1MAPK1MAPTSMN1; SMN2 | |
| SCHEMBL31340133 | 0.79 | CYP1A2 (0.55) | NPC1ALDH1A1MAPK1MAPTPKM |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111868037-B | Fused cyclic urea derivatives as CRHR2 antagonists | 拉夸里亚创药株式会社 | 2023-10-13 | — | — | CN | disclosed |
| CN-111868037-A | Fused cyclic urea derivatives as CRHR2 antagonists | 拉夸里亚创药株式会社 | 2020-10-30 | — | — | CN | disclosed |
| EP-1066286-B1 | HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2009-04-29 | — | — | EP | disclosed |
| EP-1463728-B1 | FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION | BRISTOL MYERS SQUIBB CO (US) | 2009-01-14 | — | — | EP | disclosed |
| US-5990109-A | NOVEL COMPOUNDS, METHODS OF THEIR SYNTHESIS, AND THEIR USE IN TREATING VARIOUS TYROSINE KINASE-ASSOCIATED IMMUNOLOGICAL DISORDERS, SUCH AS RHEUMATOID ARTHRITIS, MULTIPLE SCLEROSIS, GRAFT VS. HOST DISEASE, LUPUS, PSORIASIS AND ASTHMA | BRISTOL-MYERS SQUIBB CO. (US) | 1999-11-23 | — | — | US | disclosed |