Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.42 |
| ▸ | PRKCI | P41743 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL128535 | 1.00 | PDE10A (0.47) | PDE10AALOX5CA2CASP1TSHR | |
| SCHEMBL109611 | 0.86 | TSHR (0.45) | PDE10AALOX5CA2CASP1TSHR | |
| SCHEMBL13963701 | 0.86 | PDE10A (0.48) | PDE10AALOX5CA2CASP1TSHR | |
| SCHEMBL8535136 | 0.85 | ALOX5 (0.47) | PDE10AALOX5CA2CASP1TSHR | |
| Hydrochloric Acid SCHEMBL9794557 | 0.85 | CASP1 (0.44) | PDE10AALOX5CA2CASP1TSHR | |
| Water SCHEMBL9794576 | 0.85 | TSHR (0.44) | PDE10AALOX5CA2CASP1TSHR | |
| SCHEMBL214546 | 0.84 | ALDH1A1 (0.42) | PDE10AALOX5CASP1TSHRALDH1A1 | |
| 2,4-Diaminophenol SCHEMBL19327373 | 0.84 | ALDH1A1 (0.44) | PDE10AALOX5CA2CASP1TSHR | |
| Hydrochloric Acid SCHEMBL9794552 | 0.83 | CASP1 (0.42) | PDE10AALOX5CA2CASP1TSHR | |
| SCHEMBL11691601 | 0.82 | CASP1 (0.45) | PDE10AALOX5CASP1TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1349535-A2 | INDOLE/INDOLINE BASED HYBRID DYES AND INDOLE/INDOLINE BASED HYBRID DYE INTERMEDIATE PRODUCTS | Henkel Kommanditgesellschaft auf Aktien (DE) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055609-A2 | INDOLE/INDOLINE BASED HYBRID DYES AND INDOLE/INDOLINE BASED HYBRID DYE INTERMEDIATE PRODUCTS | HENKEL KGAA (DE) | 2002-07-18 | — | — | WO | disclosed |