Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.32 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.32 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.32 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23042189 | 0.82 | CHRNA4 (0.36) | CA12CA1CA2CA9RAB9A | |
| SCHEMBL28638364 | 0.74 | CA1 (0.44) | CA12CA1CA2CA9RAB9A | |
| Hydrochloric Acid SCHEMBL28665424 | 0.72 | CHRNA4 (0.41) | KDM4EALDH1A1MAPTKMT2ACHRNB2 | |
| SCHEMBL18770222 | 0.71 | KDM4E (0.46) | CA12CA1CA2CA9RAB9A | |
| SCHEMBL22978781 | 0.70 | ALDH1A1 (0.58) | RAB9ANAMPTALDH1A1LMNAKMT2A | |
| SCHEMBL18475140 | 0.69 | NAMPT (0.46) | NAMPTKDM4ELMNA | |
| SCHEMBL1948795 | 0.67 | ALDH1A1 (0.58) | CA12CA1CA2CA9RAB9A | |
| SCHEMBL18381671 | 0.67 | HTT (0.47) | SMN1; SMN2NAMPTALDH1A1LMNAMAPT | |
| SCHEMBL28148629 | 0.67 | CHRNB2 (0.33) | ALDH1A1CYP3A4CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL2625480 | 0.67 | CHRNA4 (0.39) | KDM4ELMNAABCC9ABCC8KCNJ11 |
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-105143222-A | Glycosidase inhibitors | MERCK PATENT GMBH | 2015-12-09 | — | — | CN | disclosed |