Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.51 |
| ▸ | RAB9A | P51151 | 6/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 6/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2015729 | 0.80 | SMN1; SMN2 (0.44) | NPC1RAB9ASMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL115752 | 0.80 | CTSS (0.46) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL5504022 | 0.76 | SMN1; SMN2 (0.42) | NPC1RAB9ASMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL15412644 | 0.72 | ALOX5 (0.41) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL600267 | 0.72 | AKR1C3 (0.44) | CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL27656176 | 0.72 | RAB9A (0.58) | NPC1RAB9ASMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL15738570 | 0.71 | SMN1; SMN2 (0.92) | NPC1RAB9ASMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL28335649 | 0.71 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL10440897 | 0.71 | NPC1 (0.57) | NPC1RAB9ASMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL19256882 | 0.71 | CTSS (0.43) | OPRM1OPRD1OPRK1CHRNB2CHRNB4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2326623-A2 | BETA-AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS | Aerie Pharmaceuticals, Inc. (US) | 2011-06-01 | — | — | EP | disclosed |