Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 11/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 11/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.38 |
| ▸ | CDC42 | P60953 | 1/20 | 0.38 |
| ▸ | RAC1 | P63000 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3680291 | 0.84 | AKR1C3 (0.57) | TDP1AKR1C3AKR1C2PTGS1PTGS2 | |
| SCHEMBL27711084 | 0.82 | TDP1 (0.44) | TDP1AKR1C3AKR1C2TP53CES2 | |
| SCHEMBL15695563 | 0.80 | AKR1C3 (0.45) | TDP1AKR1C3AKR1C2TP53HPGD | |
| SCHEMBL9577465 | 0.78 | ALOX5 (0.44) | AKR1C3AKR1C2CES2CES1PTGS1 | |
| SCHEMBL10443225 | 0.76 | AKR1C3 (0.53) | AKR1C3AKR1C2PTGS1SMN1; SMN2CYP1A2 | |
| SCHEMBL10443244 | 0.76 | ACP3 (0.49) | AKR1C3AKR1C2HPGDPTGS1PTGS2 | |
| SCHEMBL10443281 | 0.76 | AKR1C3 (0.51) | AKR1C3AKR1C2CES2CES1HPGD | |
| SCHEMBL7948399 | 0.76 | MT-CO2 (0.59) | TDP1AKR1C3AKR1C2TP53HPGD | |
| SCHEMBL9577330 | 0.75 | CYP2C9 (0.52) | AKR1C3AKR1C2PTGS1PTGS2TSHR | |
| SCHEMBL11395740 | 0.74 | AKR1C3 (0.53) | TDP1AKR1C3AKR1C2TP53CES2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0386243-A1 | PLATINUM (II) COMPLEXES | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1990-09-12 | — | — | EP | disclosed |