Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | GLA | P06280 | 1/20 | 0.60 |
| ▸ | NOS2 | P35228 | 1/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | PYGL | P06737 | 1/20 | 0.56 |
| ▸ | CTSL | P07711 | 7/20 | 0.56 |
| ▸ | CTSS | P25774 | 2/20 | 0.56 |
| ▸ | CTSK | P43235 | 2/20 | 0.56 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CTSV | O60911 | 1/20 | 0.54 |
| ▸ | CTSB | P07858 | 1/20 | 0.54 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL22604594 | 1.00 | GAA (0.61) | GAARAB9AALDH1A1LMNAGLA | |
| SCHEMBL4373087 | 0.93 | TSHR (0.61) | GAARAB9AALDH1A1LMNAGLA | |
| SCHEMBL13669573 | 0.93 | GAA (0.69) | GAARAB9AALDH1A1LMNAGLA | |
| SCHEMBL4369272 | 0.93 | GAA (0.69) | GAARAB9AALDH1A1LMNAGLA | |
| SCHEMBL28603072 | 0.91 | GAA (0.71) | GAARAB9AALDH1A1LMNAGLA | |
| SCHEMBL11580063 | 0.89 | TSHR (0.67) | GAARAB9AALDH1A1LMNAGLA | |
| SCHEMBL4366475 | 0.89 | TSHR (0.67) | GAARAB9AALDH1A1LMNAGLA | |
| SCHEMBL13669588 | 0.89 | TSHR (0.67) | GAARAB9AALDH1A1LMNAGLA | |
| SCHEMBL13669590 | 0.89 | TSHR (0.67) | GAARAB9AALDH1A1LMNAGLA | |
| SCHEMBL4362716 | 0.89 | TSHR (0.67) | GAARAB9AALDH1A1LMNAGLA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020216240-A1 | DICYCLIC ALKANE COMPOUND USEFUL AS INHIBITOR OF PLASMA KALLIKREIN | 南京明德新药研发有限公司 | 2020-10-29 | — | — | WO | disclosed |