Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | APLNR | P35414 | 3/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.31 |
| ▸ | TYK2 | P29597 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL8002647 | 0.87 | APLNR (0.35) | ADORA2AADORA1ALDH1A1APLNRTYK2 | |
| SCHEMBL8004421 | 0.87 | ADORA2A (0.39) | ADORA2AADORA1ALDH1A1APLNRRAD52 | |
| SCHEMBL8006887 | 0.86 | ADORA2A (0.36) | ADORA2AADORA1MEN1KMT2AALDH1A1 | |
| SCHEMBL8003749 | 0.81 | NPC1 (0.37) | MEN1KMT2ANPC1ALDH1A1RAB9A | |
| SCHEMBL577207 | 0.77 | APLNR (0.33) | MEN1KMT2ANPC1ALDH1A1RAB9A | |
| SCHEMBL8008964 | 0.77 | NPC1 (0.37) | MEN1KMT2ANPC1ALDH1A1RAB9A | |
| SCHEMBL314499 | 0.76 | MAPT (0.35) | MEN1KMT2ANPC1ALDH1A1RAB9A | |
| SCHEMBL1496441 | 0.74 | ALDH1A1 (0.33) | MEN1KMT2ANPC1ALDH1A1RAB9A | |
| SCHEMBL8004418 | 0.74 | CYP1A1 (0.41) | ADORA2AADORA1TP53MAPTCYP19A1 | |
| SCHEMBL882975 | 0.74 | ALDH1A1 (0.33) | ALDH1A1APLNRCYP19A1 |
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-2250174-B1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS INC (US) | 2013-08-28 | — | — | EP | disclosed |
| WO-2009099596-A2 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARAMACEUTICALS, INC. (US) | 2009-08-13 | — | — | WO | disclosed |