Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 10/20 | 0.37 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 6/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 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 | |
|---|---|---|---|---|
| Water SCHEMBL27601078 | 0.89 | — | — | |
| Nitrogen SCHEMBL27714445 | 0.86 | GAA (0.46) | GAACTSKDGAT1LMNAALDH1A1 | |
| SCHEMBL28745990 | 0.86 | GAA (0.50) | GAADGAT1LMNAALDH1A1TSHR | |
| SCHEMBL28342310 | 0.86 | GAA (0.50) | GAADGAT1LMNAALDH1A1TSHR | |
| SCHEMBL26684 | 0.86 | — | — | |
| SCHEMBL28358909 | 0.86 | GAA (0.50) | GAADGAT1LMNAALDH1A1TSHR | |
| Cyanide SCHEMBL27866261 | 0.83 | GAA (0.44) | GAACTSKDGAT1ALDH1A1TSHR | |
| Phosphine SCHEMBL11162239 | 0.83 | — | — | |
| Iodide SCHEMBL28618721 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL4434111 | 0.83 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104703991-B | Macrocyclic Inhibitors of Flaviviridae Viruses | 吉利德科学公司 | 2018-03-23 | — | — | CN | disclosed |
| CN-104703991-A | Macrocyclic inhibitors of flaviviridae viruses | GILEAD SCIENCES INC | 2015-06-10 | — | — | CN | disclosed |