Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM4 | Q14833 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CCR9 | P51686 | 2/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.30 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
| ▸ | RECQL | P46063 | 1/20 | 0.30 |
| ▸ | LOX | P28300 | 1/20 | 0.30 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.30 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19068793 | 0.78 | RAB9A (0.39) | GRM4ALDH1A1CCR9 | |
| SCHEMBL9883137 | 0.77 | CYP1A2 (0.47) | GRM4ALDH1A1CCR9TRPA1 | |
| SCHEMBL31578968 | 0.77 | ABL1 (0.31) | ALDH1A1ABL1 | |
| SCHEMBL18561969 | 0.76 | AKT1 (0.31) | — | |
| SCHEMBL30456025 | 0.75 | KDM4E (0.39) | ALDH1A1 | |
| SCHEMBL29416967 | 0.74 | ALDH1A1 (0.56) | ALDH1A1TRPA1 | |
| SCHEMBL13738228 | 0.74 | ALDH1A1 (0.56) | ALDH1A1TRPA1 | |
| SCHEMBL17229344 | 0.73 | ABL1 (0.45) | GRM4ABL1 | |
| SCHEMBL31293733 | 0.73 | LOXL2 (0.57) | TRPA1RECQLLOXLOXL3LOXL2 | |
| SCHEMBL8159874 | 0.71 | CASP3 (0.50) | GRM4ALDH1A1ABL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2859009-B1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES INC (US) | 2017-10-18 | — | — | EP | disclosed |
| EP-2861604-B1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES INC (US) | 2017-03-01 | — | — | EP | disclosed |