Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.45 |
| ▸ | TYR | P14679 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 2/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | ITK | Q08881 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13450604 | 0.96 | RAB9A (0.55) | RAB9ANPC1ALDH1A1SMN1; SMN2PI4KB | |
| SCHEMBL5099245 | 0.95 | RAB9A (0.58) | RAB9ANPC1ALDH1A1SMN1; SMN2PI4KB | |
| SCHEMBL29438377 | 0.95 | RAB9A (0.58) | RAB9ANPC1ALDH1A1SMN1; SMN2PI4KB | |
| SCHEMBL29438374 | 0.95 | RAB9A (0.58) | RAB9ANPC1ALDH1A1SMN1; SMN2PI4KB | |
| SCHEMBL15256162 | 0.92 | RAB9A (0.50) | RAB9ANPC1ALDH1A1SMN1; SMN2PI4KB | |
| SCHEMBL22532118 | 0.80 | GRM5 (0.44) | RAB9ANPC1ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL13326581 | 0.78 | PRKCI (0.44) | RAB9ANPC1ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL26775804 | 0.78 | PRKCI (0.44) | RAB9ANPC1ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL3900029 | 0.77 | ALDH1A1 (0.48) | RAB9ANPC1ALDH1A1SMN1; SMN2GAA | |
| SCHEMBL31461104 | 0.76 | NPC1 (0.62) | RAB9ANPC1ALDH1A1SMN1; SMN2KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1863833-B1 | PROCESS FOR PREPARING MACROCYCLIC COMPOUNDS | BOEHRINGER INGELHEIM INT (DE) | 2013-09-18 | — | — | EP | disclosed |
| WO-2004009121-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING HEPATITIS C VIRAL PROTEASE INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2004-01-29 | — | — | WO | disclosed |
| WO-2003066103-A1 | PHARMACEUTICAL COMPOSITIONS FOR HEPATITIS C VIRAL PROTEASE INHIBITORS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2003-08-14 | — | — | WO | disclosed |