Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA5A | P35218 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 3/20 | 0.49 |
| ▸ | HTR2B | P41595 | 2/20 | 0.47 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CTRC | Q99895 | 2/20 | 0.41 |
| ▸ | IDH1 | O75874 | 1/20 | 0.41 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8807402 | 0.89 | HTR2B (0.47) | CA12CA1CA2CA3CA4 | |
| SCHEMBL28836090 | 0.83 | HTR2B (0.54) | CA12CA1CA2CA3CA4 | |
| SCHEMBL981554 | 0.75 | CYP2A6 (0.41) | CA12CTRCHSD17B3ALDH1A1TSHR | |
| SCHEMBL6174381 | 0.74 | HTR2B (0.54) | CA12CA1CA2CA3CA4 | |
| SCHEMBL11322723 | 0.72 | CTRC (0.49) | CA12CA1CA2CA3CA4 | |
| SCHEMBL23122001 | 0.71 | ALDH1A1 (0.55) | CA12CA1CA2CA3CA4 | |
| SCHEMBL24401235 | 0.71 | TDP1 (0.60) | DAOFFAR1ALDH1A1 | |
| SCHEMBL968257 | 0.71 | MAPT (0.47) | KCNH2CTRC | |
| SCHEMBL9027254 | 0.71 | PDE4D (0.40) | DAOALDH1A1 | |
| SCHEMBL31179739 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0729463-A1 | 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS | PARKE DAVIS & COMPANY (US) | 1996-09-04 | — | — | EP | claimed |