Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.53 |
| ▸ | F2 | P00734 | 1/20 | 0.49 |
| ▸ | TPMT | P51580 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.40 |
| ▸ | LDHB | P07195 | 1/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.38 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.38 |
| ▸ | CTRC | Q99895 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CCNC | P24863 | 1/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 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 | |
|---|---|---|---|---|
| SCHEMBL7423958 | 0.86 | RPS6KA3 (0.50) | RPS6KA3F2CYP11B2MAPTGSK3B | |
| SCHEMBL29236274 | 0.83 | TPMT (0.47) | TPMTHCAR2RXRARXRBKMO | |
| SCHEMBL31027177 | 0.83 | TPMT (0.47) | TPMTHCAR2RXRARXRBKMO | |
| SCHEMBL7422808 | 0.80 | TPMT (0.47) | TPMTLDHALDHBRXRARXRB | |
| SCHEMBL14395132 | 0.73 | KMO (0.67) | TPMTHCAR2RXRARXRBKMO | |
| SCHEMBL6910260 | 0.71 | RPS6KA3 (0.57) | RPS6KA3GSK3BSLC22A12 | |
| SCHEMBL15521802 | 0.70 | TPMT (0.64) | TPMTHCAR2RXRARXRBHCAR1 | |
| SCHEMBL21105124 | 0.70 | RPS6KA3 (0.60) | RPS6KA3MAPTGSK3BSLC22A12 | |
| SCHEMBL28270190 | 0.70 | KDM4C (0.49) | HCAR2KMOMAPTDHODHSLC22A12 | |
| SCHEMBL17231196 | 0.70 | TPMT (0.76) | TPMTHCAR2RXRARXRBHCAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002022584-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2002-03-21 | — | — | WO | disclosed |