Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | TTR | P02766 | 1/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | TYR | P14679 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2334343 | 1.00 | AKR1C3 (0.50) | AKR1C3TTRAPPCA12CA1 | |
| SCHEMBL3584119 | 0.88 | CA12 (0.55) | TTRAPPCA12CA1CA2 | |
| SCHEMBL3584118 | 0.88 | CA12 (0.55) | TTRAPPCA12CA1CA2 | |
| SCHEMBL6821064 | 0.88 | AKR1C3 (0.56) | AKR1C3TTRAPPCA12CA1 | |
| SCHEMBL6821063 | 0.88 | AKR1C3 (0.56) | AKR1C3TTRAPPCA12CA1 | |
| SCHEMBL28928255 | 0.83 | CA12 (0.59) | AKR1C3TTRAPPCA12CA1 | |
| SCHEMBL29219854 | 0.83 | CYP3A4 (0.52) | AKR1C3TTRCA12CA1CA2 | |
| SCHEMBL30671407 | 0.83 | CYP3A4 (0.52) | AKR1C3TTRCA12CA1CA2 | |
| SCHEMBL18844019 | 0.83 | TTR (0.46) | AKR1C3TTRAPPCA12CA1 | |
| SCHEMBL17705228 | 0.82 | AKR1C3 (0.57) | AKR1C3TTRAPPCA12CA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021129817-A1 | PYRIMIDINE-BASED COMPOUND HAVING INHIBITORY EFFECT OF KETOHEXOKINASE (KHK) | 南京明德新药研发有限公司 | 2021-07-01 | — | — | WO | disclosed |
| WO-2011098417-A1 | SUBSTITUTED CYANOBUTYRATES HAVING HERBICIDAL ACTION | BASF SE (DE) | 2011-08-18 | — | — | WO | disclosed |
| US-5489592-A | ALDOSE REDUCTASE INHIBITORS FOR TREATMENT OF DIABETES-RELATED DISORDERS | LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) | 1996-02-06 | — | — | US | disclosed |