Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PTPRC | P08575 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5845033 | 0.82 | NPC1 (0.47) | CYP2A6PIK3CAALDH1A1DPP4TSHR | |
| SCHEMBL2935720 | 0.79 | AHR (0.48) | CYP2A6ALDH1A1DPP4TSHRIDO1 | |
| SCHEMBL932318 | 0.79 | IDO1 (0.50) | CYP2A6PIK3CAALDH1A1DPP4TSHR | |
| SCHEMBL1513823 | 0.78 | CYP2A6 (0.48) | CYP2A6ALDH1A1DPP4LDHAHPGD | |
| SCHEMBL23909388 | 0.78 | CYP3A4 (0.50) | CYP2A6PIK3CAALDH1A1DPP4TSHR | |
| SCHEMBL30335991 | 0.77 | CYP2A6 (0.50) | CYP2A6PIK3CAALDH1A1DPP4TSHR | |
| SCHEMBL1513821 | 0.76 | TSHR (0.62) | CYP2A6PIK3CAALDH1A1DPP4TSHR | |
| SCHEMBL29802156 | 0.75 | CYP2A6 (0.67) | CYP2A6ALDH1A1DPP4LDHATSHR | |
| SCHEMBL29883244 | 0.75 | CYP2A6 (0.67) | CYP2A6ALDH1A1DPP4LDHATSHR | |
| SCHEMBL671133 | 0.75 | CYP2A6 (0.67) | CYP2A6ALDH1A1DPP4LDHATSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002058695-A9 | (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS | MERCK & CO INC (US) | 2003-09-12 | — | — | WO | disclosed |