Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | ALPL | P05186 | 1/20 | 0.45 |
| ▸ | ALPI | P09923 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PRKD1 | Q15139 | 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 | |
|---|---|---|---|---|
| SCHEMBL17511039 | 0.87 | RAB9A (0.49) | RAB9ANPC1ALPLALPIMAPT | |
| SCHEMBL17511067 | 0.86 | RAB9A (0.48) | RAB9ANPC1ALPLALPIMAPT | |
| SCHEMBL17511304 | 0.85 | HDAC3 (0.47) | RAB9ANPC1ALPLALPIMAPT | |
| SCHEMBL19440809 | 0.84 | NPC1 (0.56) | RAB9ANPC1MAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL17883357 | 0.84 | ITK (0.53) | RAB9ANPC1ALDH1A1SMN1; SMN2PRKD1 | |
| SCHEMBL69243 | 0.83 | RAB9A (0.50) | RAB9ANPC1ALPLALPIMAPT | |
| SCHEMBL17511046 | 0.82 | RAB9A (0.52) | RAB9ANPC1MAPTALDH1A1 | |
| SCHEMBL19440896 | 0.82 | RAB9A (0.44) | RAB9ANPC1ALPLALPIMAPT | |
| SCHEMBL27833483 | 0.81 | MEN1 (0.46) | RAB9ANPC1ALPLALPIMAPT | |
| SCHEMBL19440886 | 0.80 | NAMPT (0.47) | RAB9ANPC1ALDH1A1SMN1; SMN2HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016105484-A1 | DERIVATIVES OF 5-(HETERO)ARYLPYRAZOL-3-CARBOXYLIC AMIDE OR 1-(HETERO)ARYLTRIAZOL-4-CARBOXYLIC AMIDE USEFUL FOR THE TREATMENT OF INTER ALIA CYSTIC FIBROSIS | PROTEOSTASIS THERAPEUTICS, INC. (US) | 2016-06-30 | — | — | WO | disclosed |