Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | HPGD | P15428 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28294399 | 0.83 | — | — | |
| SCHEMBL28238323 | 0.69 | MAOA (0.39) | CA12CA1CA2CA7CA9 | |
| Benzene SCHEMBL28238324 | 0.68 | KCNH2 (0.32) | LTA4HTSHRGAAPOLBLMNA | |
| SCHEMBL27501516 | 0.67 | ACHE (0.41) | ALDH1A1HPGDMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL6152260 | 0.67 | ALDH1A1 (0.33) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29712140 | 0.66 | KDM4E (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28158548 | 0.65 | KDM4E (0.33) | CA12CA1CA2CA7CA9 | |
| SCHEMBL12493239 | 0.64 | — | — | |
| SCHEMBL7959468 | 0.63 | CA12 (0.53) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27571612 | 0.62 | LMNA (0.42) | ALDH1A1HPGDMAPTKDM4ESMN1; SMN2 |
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-109621977-A | A kind of magnetism carbonaceous solid acid catalyst and preparation method thereof and preparing the application in levulinate | 陕西科技大学 | 2019-04-16 | — | — | CN | disclosed |