Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 5/20 | 0.39 |
| ▸ | CTSK | P43235 | 4/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.31 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.31 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.31 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.31 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.31 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2002111 | 0.76 | CTSS (0.53) | CTSSCTSK | |
| SCHEMBL1996710 | 0.75 | CTSS (0.42) | CTSSCTSKCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL3239063 | 0.74 | CTSS (0.48) | CTSSCTSKCCR1MEN1KMT2A | |
| SCHEMBL21359172 | 0.69 | CTSS (0.39) | CTSSCTSKCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL28150063 | 0.69 | PSEN1 (0.31) | CTSSPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL285337 | 0.68 | CCR1 (0.39) | CHRNB2CHRNB4CHRNA3CHRNA4ALOX5 | |
| SCHEMBL11384344 | 0.68 | ALOX5 (0.43) | CTSSCTSKCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL2000309 | 0.67 | CCR1 (0.40) | CTSSCTSKCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL1096309 | 0.67 | CTSS (0.57) | CTSSCTSK | |
| SCHEMBL11079836 | 0.66 | SMN1; SMN2 (0.49) | CHRNB2CHRNB4CHRNA3CHRNA4ALOX5 |
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-2326623-A2 | BETA-AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS | Aerie Pharmaceuticals, Inc. (US) | 2011-06-01 | — | — | EP | disclosed |
| WO-2010011853-A2 | BETA-AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS | AERIE PHARMACEUTICALS, INC. (US) | 2010-01-28 | — | — | WO | disclosed |