Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.39 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30807652 | 0.81 | ALDH1A1 (0.44) | HSD17B10CA1CA2TSHRCA12 | |
| SCHEMBL918043 | 0.81 | ALDH1A1 (0.44) | HSD17B10CA1CA2TSHRCA12 | |
| SCHEMBL18593627 | 0.78 | TTBK1 (0.40) | HSD17B10CA1CA2TSHRCA12 | |
| SCHEMBL733036 | 0.76 | KDM4E (0.44) | CA1CA2AKR1C2AKR1C1KDM4E | |
| SCHEMBL18241272 | 0.76 | CA2 (0.41) | HSD17B10CA2TSHRKDM4E | |
| SCHEMBL787718 | 0.76 | ALDH1A1 (0.59) | TSHRKDM4ESMN1; SMN2TTRCTDSP1 | |
| SCHEMBL29825352 | 0.76 | KDM4E (0.44) | CA1CA2AKR1C2AKR1C1KDM4E | |
| SCHEMBL29954641 | 0.76 | ALDH1A1 (0.59) | TSHRKDM4ESMN1; SMN2TTRCTDSP1 | |
| SCHEMBL1163265 | 0.76 | KDM4E (0.50) | HSD17B10CA1CA2LCKFYN | |
| SCHEMBL29955154 | 0.76 | KDM4E (0.50) | HSD17B10CA1CA2LCKFYN |
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-115996932-A | New macrocyclic LRRK2 kinase inhibitors | 法国施维雅药厂 | 2023-04-21 | — | — | CN | disclosed |