Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 2/20 | 0.36 |
| ▸ | CTSK | P43235 | 2/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.34 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.33 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21359172 | 0.85 | CTSS (0.39) | CCR1ALOX5CTSSCTSKCHRNB2 | |
| SCHEMBL3239063 | 0.82 | CTSS (0.48) | CCR1CTSSCTSKCTSLCTSB | |
| SCHEMBL12491700 | 0.78 | SLC1A3 (0.39) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL12497791 | 0.73 | HTT (0.43) | ALOX5S1PR1S1PR3SMN1; SMN2EPHX2 | |
| SCHEMBL11198210 | 0.73 | CCR1 (0.40) | CCR1ALOX5CHRNB2CHRNB4CHRNA3 | |
| Bromide SCHEMBL27340514 | 0.72 | CCR1 (0.42) | CCR1ALOX5CTSSCTSKCHRNB2 | |
| Bromide SCHEMBL27543765 | 0.72 | CCR1 (0.42) | CCR1ALOX5CTSSCTSKCHRNB2 | |
| SCHEMBL12499193 | 0.71 | ATM (0.44) | MAPTSMN1; SMN2EPHX2CNR1CNR2 | |
| SCHEMBL2002111 | 0.70 | CTSS (0.53) | CTSSCTSKCTSLCTSB | |
| SCHEMBL285337 | 0.70 | CCR1 (0.39) | CCR1ALOX5CHRNB2CHRNB4CHRNA3 |
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 |