Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CDK4 | P11802 | 4/20 | 0.42 |
| ▸ | CCND1 | P24385 | 4/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.36 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL27807521 | 0.84 | CDK4 (0.38) | CDK4CCND1HTR2AHTR2CNOTUM | |
| Ethoxycarbonyl Group SCHEMBL27580247 | 0.83 | NOTUM (0.40) | CDK4CCND1HTR2AHTR2CNOTUM | |
| Ethoxycarbonyl Group SCHEMBL27934321 | 0.83 | CDK4 (0.37) | CDK4CCND1HTR2AHTR2CNOTUM | |
| Ethoxycarbonyl Group SCHEMBL27992846 | 0.83 | CDK4 (0.37) | CDK4CCND1HTR2AHTR2CNOTUM | |
| Ethoxycarbonyl Group SCHEMBL27745985 | 0.83 | CDK4 (0.37) | CDK4CCND1HTR2AHTR2CNOTUM | |
| Ethoxycarbonyl Group SCHEMBL27669238 | 0.80 | SLC6A2 (0.43) | CDK4CCND1HTR2AHTR2CNOTUM | |
| Formic Acid SCHEMBL28280220 | 0.79 | CYP2A6 (0.50) | CYP2A6CDK4CCND1HTR2AHTR2C | |
| Naphthalene SCHEMBL27488215 | 0.78 | ALDH1A1 (0.40) | CYP2A6MAPK1HTTLMNAKMT2A | |
| SCHEMBL29384135 | 0.78 | CDK4 (0.56) | CYP2A6CDK4CCND1HTR2AHTR2C | |
| SCHEMBL29812 | 0.78 | CDK4 (0.56) | CYP2A6CDK4CCND1HTR2AHTR2C |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101547914-A | Indoles compound | HOFFMANN LA ROCHE (CH) | 2009-09-30 | — | — | CN | disclosed |
| CN-101547923-A | Spiro-piperidine derivatives as VIA receptor antagonists | HOFFMANN LA ROCHE (CH) | 2009-09-30 | — | — | CN | disclosed |
| CN-101541797-A | Spiro-piperidine derivatives | HOFFMANN LA ROCHE (CH) | 2009-09-23 | — | — | CN | disclosed |
| CN-101321726-A | Novel fused pyrrole derivative | DAINIPPON SUMITOMO PHARMA CO (JP) | 2008-12-10 | — | — | CN | disclosed |
| CN-1197860-C | FAB I inhibitors | SMITHKLINE BEECHAM CORP (CA) | 2005-04-20 | — | — | CN | disclosed |
| CN-1378542-A | Antigen binding fragment I inhibitors | SMITHKLINE BEECHAM CORP (US) | 2002-11-06 | — | — | CN | disclosed |