Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.51 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | GSR | P00390 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12401716 | 0.82 | SRD5A2 (0.49) | ALDH1A1KDM4ENOTUMSRD5A2HPGD | |
| SCHEMBL9617185 | 0.81 | SRD5A2 (0.51) | ALDH1A1KDM4ENOTUMSRD5A2HPGD | |
| SCHEMBL15111695 | 0.79 | SRD5A2 (0.50) | ALDH1A1KDM4ENOTUMSRD5A2HPGD | |
| SCHEMBL947675 | 0.79 | SRD5A1 (0.50) | ALDH1A1KDM4ENOTUMSRD5A2HPGD | |
| SCHEMBL27617877 | 0.79 | ALDH1A1 (0.56) | ALDH1A1KDM4ENOTUMHPGDLMNA | |
| SCHEMBL9580724 | 0.75 | SRD5A2 (0.46) | ALDH1A1KDM4ENOTUMSRD5A2HPGD | |
| SCHEMBL28728806 | 0.75 | KDM4E (0.46) | ALDH1A1KDM4ENOTUMSRD5A2HPGD | |
| SCHEMBL26080880 | 0.75 | SRD5A2 (0.46) | ALDH1A1KDM4ENOTUMSRD5A2HPGD | |
| SCHEMBL6676615 | 0.73 | SRD5A2 (0.51) | ALDH1A1KDM4ENOTUMSRD5A2HPGD | |
| SCHEMBL20925015 | 0.73 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDLMNAMAPT |
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-3960740-A1 | CRYSTALLINE FORMS OF ETHYL ((S)-((((2R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-FLUORO-2,5-DIHYDROFURAN-2-YL)OXY)METHYL)(PHENOXY)PHOSPHORYL)-L-ALANINATE (GS-9131) VANILLATE FOR TREATING VIRAL INFECTIONS | Gilead Sciences, Inc. (US) | 2022-03-02 | — | — | EP | disclosed |