Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.52 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.51 |
| ▸ | CNR1 | P21554 | 7/20 | 0.48 |
| ▸ | CNR2 | P34972 | 7/20 | 0.48 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | BCL2 | P10415 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | CMA1 | P23946 | 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 | |
|---|---|---|---|---|
| SCHEMBL5268019 | 0.88 | AKR1C3 (0.70) | AKR1C3AKR1C2TUBB1PPARGMTOR | |
| SCHEMBL7873596 | 0.87 | AKR1C3 (0.52) | AKR1C3AKR1C2TUBB1CNR1CNR2 | |
| SCHEMBL7864587 | 0.83 | AKR1C3 (0.54) | AKR1C3AKR1C2TUBB1CNR1CNR2 | |
| SCHEMBL5266884 | 0.80 | AKR1C3 (0.69) | AKR1C3AKR1C2TUBB1CNR2PPARG | |
| SCHEMBL5267225 | 0.73 | AKR1C3 (0.74) | AKR1C3AKR1C2TUBB1CNR2PPARG | |
| SCHEMBL1648373 | 0.71 | MRGPRX4 (0.55) | MRGPRX4TP53HPGDALOX15TDP1 | |
| SCHEMBL5269541 | 0.71 | AKR1C3 (0.74) | AKR1C3AKR1C2TUBB1CNR2PPARG | |
| SCHEMBL5269841 | 0.70 | AKR1C3 (0.73) | AKR1C3AKR1C2TUBB1CNR2PPARG | |
| SCHEMBL4588225 | 0.70 | AKR1C3 (0.67) | AKR1C3AKR1C2TUBB1PPARGTSHR | |
| SCHEMBL5270746 | 0.70 | AKR1C3 (0.72) | AKR1C3AKR1C2TUBB1CNR2PPARG |
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-6306890-B1 | COMPOUNDS FOR INHIBITING CYCLOOXYGENASE | VANDERBILT UNIVERSITY | 2001-10-23 | — | — | US | disclosed |