Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 2/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.46 |
| ▸ | LTB4R2 | Q9NPC1 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | FABP2 | P12104 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL28459698 | 0.88 | AKR1C3 (0.43) | AKR1C3AKR1C2LTB4R2TP53MEN1 | |
| SCHEMBL28901179 | 0.85 | MEN1 (0.38) | AKR1C3AKR1C2LTB4R2TP53MEN1 | |
| SCHEMBL17596762 | 0.81 | TP53 (0.47) | HTTTP53KMT2ATSHRLMNA | |
| SCHEMBL18440613 | 0.73 | TRPV1 (0.50) | LTB4R2HTTKMT2ATSHRLMNA | |
| SCHEMBL26633277 | 0.71 | LMNA (0.48) | AKR1C3AKR1C2HTTMEN1KMT2A | |
| SCHEMBL18787357 | 0.70 | AKR1C3 (0.48) | AKR1C3AKR1C2HTTMAPTCYP2C19 | |
| SCHEMBL5458885 | 0.69 | TP53 (0.67) | LTB4R2HTTTP53MEN1KMT2A | |
| SCHEMBL10469 | 0.69 | ALDH1A1 (0.41) | HTTTP53MEN1KMT2AMAPK1 | |
| SCHEMBL2435091 | 0.69 | NOTUM (0.56) | HTTTP53KMT2ALMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL5252881 | 0.68 | TP53 (0.65) | LTB4R2HTTTP53MEN1KMT2A |
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-111741944-A | Anticancer compounds | 悉尼大学 | 2020-10-02 | — | — | CN | disclosed |