Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5203381 | 0.94 | GPR84 (0.55) | GPR84ALDH1A1LMNASMN1; SMN2AKR1B1 | |
| SCHEMBL28834415 | 0.92 | GPR84 (0.47) | GPR84ALDH1A1CA2MAPK1LMNA | |
| SCHEMBL10707793 | 0.91 | GPR84 (0.54) | GPR84ALDH1A1CA2MAPK1TDP1 | |
| SCHEMBL5362865 | 0.89 | GPR84 (0.57) | GPR84ALDH1A1CA2MAPK1LMNA | |
| SCHEMBL5359130 | 0.89 | GPR84 (0.52) | GPR84ALDH1A1CA2MAPK1TDP1 | |
| SCHEMBL10478922 | 0.89 | CAMK2A (0.43) | GPR84SMN1; SMN2TDP1ADRA1AFFAR4 | |
| 1,6-Hexanediol SCHEMBL5137145 | 0.88 | GPR84 (0.58) | GPR84ALDH1A1LMNASMN1; SMN2TDP1 | |
| SCHEMBL7202803 | 0.88 | GPR84 (0.58) | GPR84ALDH1A1LMNASMN1; SMN2TDP1 | |
| 1,6-Hexanediol SCHEMBL5137134 | 0.88 | GPR84 (0.58) | GPR84ALDH1A1LMNASMN1; SMN2TDP1 | |
| 1,6-Hexanediol SCHEMBL5137760 | 0.88 | GPR84 (0.58) | GPR84ALDH1A1LMNASMN1; SMN2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009127009-A1 | CONDENSATION POLYMERS | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) | 2009-10-22 | — | — | WO | claimed |
| CN-117285422-A | Method and device for producing n-butyl acetate and methanol by catalytic rectification and coupled extractive distillation | 天津大学 | 2023-12-26 | — | — | CN | disclosed |