Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.31 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 2/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL9946511 | 1.00 | ALDH1A1 (0.34) | ALDH1A1LMNACYP2D6CYP2C19TSHR | |
| SCHEMBL9904080 | 1.00 | ALDH1A1 (0.34) | ALDH1A1LMNACYP2D6CYP2C19TSHR | |
| SCHEMBL9900362 | 1.00 | ALDH1A1 (0.34) | ALDH1A1LMNACYP2D6CYP2C19TSHR | |
| SCHEMBL16155371 | 0.87 | CYP2D6 (0.38) | ALDH1A1LMNACYP2D6CYP2C19TSHR | |
| SCHEMBL18563371 | 0.84 | ALDH1A1 (0.34) | ALDH1A1LMNACYP2D6CYP2C19TSHR | |
| SCHEMBL9899630 | 0.82 | LMNA (0.32) | ALDH1A1LMNACYP2D6CYP2C19TSHR | |
| SCHEMBL20858193 | 0.81 | ALDH1A1 (0.35) | ALDH1A1LMNACYP2D6CYP2C19TSHR | |
| SCHEMBL19479441 | 0.77 | CYP2D6 (0.35) | ALDH1A1LMNACYP2D6CYP2C19TSHR | |
| SCHEMBL15447184 | 0.77 | — | — | |
| SCHEMBL22367767 | 0.76 | MAPT (0.39) | ALDH1A1LMNATSHRMAPTCYP3A4 |
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 4 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 |
| EP-2649076-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | Gilead Sciences, Inc. (US) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012078915-A1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES, INC. (US) | 2012-06-14 | — | — | WO | disclosed |