Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | FABP1 | P07148 | 1/20 | 0.39 |
| ▸ | FABP6 | P51161 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL23812304 | 0.90 | HTT (0.44) | HTTSMN1; SMN2CXCR4CYP2C19MEN1 | |
| SCHEMBL22436194 | 0.89 | ALOX12 (0.44) | HTTSMN1; SMN2CXCR4CYP2C19MEN1 | |
| SCHEMBL22001250 | 0.83 | HTT (0.42) | HTTSMN1; SMN2CXCR4CYP2C19MEN1 | |
| SCHEMBL21017126 | 0.81 | ALOX12 (0.48) | HTTSMN1; SMN2CXCR4CYP2C19MEN1 | |
| SCHEMBL23768097 | 0.81 | ALOX12 (0.48) | HTTSMN1; SMN2CXCR4CYP2C19MEN1 | |
| SCHEMBL23612390 | 0.81 | ALOX12 (0.45) | HTTSMN1; SMN2CXCR4CYP2C19MEN1 | |
| SCHEMBL19852711 | 0.81 | ALOX12 (0.48) | HTTSMN1; SMN2CXCR4CYP2C19MEN1 | |
| SCHEMBL23697490 | 0.80 | ALOX12 (0.47) | HTTSMN1; SMN2CXCR4CYP2C19MEN1 | |
| SCHEMBL29794355 | 0.79 | CYP2C19 (0.47) | HTTSMN1; SMN2CXCR4CYP2C19MEN1 | |
| SCHEMBL17700558 | 0.79 | CYP2C19 (0.47) | HTTSMN1; SMN2CXCR4CYP2C19MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8247424-B2 | Water soluble groups on ring A; antitumor antibiotics; 1-Desoxy-5-C-[(8R)-4',9,9'-trihydroxy-6'-methoxy-1,1',3',5',8'-pentaoxo-1,1',2,3',5',6,7,8'-octahydrospiro[cyclopenta[g]isoquinoline-8,2'-cyclopenta[b]-naphthalene]-3-yl]pentitol; topoisomerase inhibitors; cyclodextrin inclusions; stereoisomers | ZENTOPHARM GMBH (DE) | 2012-08-21 | — | — | US | disclosed |
| US-8247424-B2 | Water soluble groups on ring A; antitumor antibiotics; 1-Desoxy-5-C-[(8R)-4',9,9'-trihydroxy-6'-methoxy-1,1',3',5',8'-pentaoxo-1,1',2,3',5',6,7,8'-octahydrospiro[cyclopenta[g]isoquinoline-8,2'-cyclopenta[b]-naphthalene]-3-yl]pentitol; topoisomerase inhibitors; cyclodextrin inclusions; stereoisomers | ZENTOPHARM GMBH (DE) | 2012-08-21 | — | — | US | disclosed |