Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.54 |
| ▸ | TLR4 | O00206 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL918598 | 1.00 | CYP1A2 (0.54) | CYP1A2TLR4LMNAMAPK1HTT | |
| SCHEMBL9013735 | 0.96 | CYP1A2 (0.50) | CYP1A2TLR4LMNAMAPK1HTT | |
| SCHEMBL9013734 | 0.96 | CYP1A2 (0.50) | CYP1A2TLR4LMNAMAPK1HTT | |
| Ethylene SCHEMBL4704613 | 0.96 | CYP1A2 (0.50) | CYP1A2TLR4LMNAMAPK1HTT | |
| SCHEMBL730083 | 0.93 | CYP1A2 (0.52) | CYP1A2TLR4LMNAMAPK1HTT | |
| SCHEMBL6736225 | 0.91 | CYP1A2 (0.50) | CYP1A2TLR4HTTCHRM2CHRM4 | |
| SCHEMBL2853523 | 0.91 | CYP1A2 (0.50) | CYP1A2TLR4HTTCHRM2CHRM4 | |
| SCHEMBL11082717 | 0.91 | CYP1A2 (0.50) | CYP1A2TLR4HTTCHRM2CHRM4 | |
| SCHEMBL7737007 | 0.91 | CYP1A2 (0.50) | CYP1A2TLR4LMNAMAPK1HTT | |
| SCHEMBL9356259 | 0.91 | CYP1A2 (0.50) | CYP1A2TLR4HTTCHRM2CHRM4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104725270-B | Method for preparing butylphenylacetonitrile | 江西吉翔医药化工有限公司 | 2017-01-18 | — | — | CN | claimed |