Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | PREP | P48147 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27497694 | 0.81 | IDO1 (0.58) | IDO1CYP19A1ADRA2ACHRM2CHRM1 | |
| SCHEMBL28869631 | 0.80 | SIGMAR1 (0.46) | SIGMAR1CA2 | |
| SCHEMBL27823366 | 0.79 | PNMT (0.40) | ADRA2A | |
| SCHEMBL14439410 | 0.77 | CHRM2 (0.35) | CYP19A1CHRM2CHRM1CHRM3 | |
| Ethoxycarbonyl Group SCHEMBL27711869 | 0.75 | IDO1 (0.37) | IDO1CYP19A1CHRM2CHRM1CHRM3 | |
| SCHEMBL28294166 | 0.74 | CA1 (0.56) | CA1CA2 | |
| SCHEMBL28294086 | 0.74 | CA1 (0.39) | CA1CA2 | |
| SCHEMBL27802706 | 0.74 | HSD17B1 (0.38) | CYP19A1 | |
| SCHEMBL2741074 | 0.72 | IDO1 (0.47) | IDO1CYP19A1ADRA2ASIGMAR1ADRA1D | |
| SCHEMBL833464 | 0.72 | IDO1 (0.42) | IDO1CYP19A1ADRA2APREPSIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109743875-A | The inhibitor of MENIN-MLL interaction | 生命医药公司 | 2019-05-10 | — | — | CN | disclosed |
| CN-1835753-A | Spiro tetrahydroquinazolines and dihydrocyclopentapyrimidines as CFR antagonists | ROCHE PALO ALTO LLC (CH) | 2006-09-20 | — | — | CN | disclosed |