Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7638512 | 1.00 | TBXAS1 (0.42) | TBXAS1TSHRRAB9AKMT2APOLB | |
| SCHEMBL6699765 | 0.86 | CYP19A1 (0.42) | TBXAS1CYP17A1CYP24A1 | |
| SCHEMBL6694813 | 0.85 | CYP24A1 (0.43) | TBXAS1KDM4ECYP24A1 | |
| SCHEMBL6699772 | 0.84 | HMOX1 (0.41) | KDM4EALDH1A1 | |
| SCHEMBL6694121 | 0.81 | CYP24A1 (0.33) | TBXAS1KDM4ECYP24A1 | |
| SCHEMBL6694999 | 0.80 | LNPEP (0.35) | CYP17A1CYP1A2CYP2C19 | |
| SCHEMBL7635490 | 0.79 | ALDH1A1 (0.43) | TSHRKMT2APOLBKDM4EALDH1A1 | |
| SCHEMBL7639674 | 0.79 | ALDH1A1 (0.43) | TSHRKMT2APOLBKDM4EALDH1A1 | |
| SCHEMBL7642170 | 0.79 | HMOX1 (0.52) | CYP24A1MAPT | |
| SCHEMBL7642166 | 0.79 | HMOX1 (0.52) | CYP24A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-6380400-B1 | DIMETHYLTHIOCARBAMIC ACID ESTER; VIRICIDES | FEDIJ VICTOR (US) | 2002-04-30 | — | — | US | disclosed |