Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.39 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.39 |
| ▸ | TLK2 | Q86UE8 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL22906170 | 0.85 | NOTUM (0.55) | NOTUMKDM4ETSHRHTTSMN1; SMN2 | |
| SCHEMBL1080986 | 0.79 | EGFR (0.48) | NOTUMKDM4EPOLBTSHRKDR | |
| SCHEMBL5921884 | 0.75 | NPSR1 (0.55) | KDM4EPOLBSMN1; SMN2NPSR1CYP1A2 | |
| SCHEMBL1844884 | 0.75 | NOTUM (0.55) | NOTUMKDM4EPOLBTSHRKDR | |
| SCHEMBL6832974 | 0.71 | KDR (0.53) | KDM4EPOLBTSHRHTTKDR | |
| SCHEMBL31672516 | 0.67 | TSHR (0.56) | KDM4EPOLBTSHRHTTNPSR1 | |
| SCHEMBL158429 | 0.67 | HPGD (0.38) | POLBTSHRSMN1; SMN2USP2ALDH1A1 | |
| SCHEMBL10872851 | 0.67 | LMNA (0.69) | POLBTSHRHTTSMN1; SMN2NPSR1 | |
| SCHEMBL30454175 | 0.67 | KDM4E (0.40) | KDM4EPOLBTSHRHTTSMN1; SMN2 | |
| SCHEMBL1316433 | 0.66 | NOTUM (0.57) | NOTUMKDM4ESMN1; SMN2NPSR1CYP1A2 |
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-2010136458-A1 | PROCESS FOR THE PREPARATION OF N-[2-DIETHYLAMINO)ETHYL]-5-[(5-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)METHYL]-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE | RATIOPHARM GMBH (DE) | 2010-12-02 | — | — | WO | disclosed |