Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | ALPL | P05186 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.42 |
| ▸ | TUBB | P07437 | 1/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.42 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27811234 | 0.89 | MAPT (0.44) | MAPTKDM4ECA12CA1CA2 | |
| SCHEMBL27831429 | 0.87 | GRN (0.49) | MAPTKDM4EBRD4KMT2AMEN1 | |
| SCHEMBL27811133 | 0.84 | CA12 (0.55) | MAPTKDM4ECA12CA1CA2 | |
| SCHEMBL27811119 | 0.78 | BRD4 (0.52) | MAPTKDM4EBRD4KMT2AMEN1 | |
| SCHEMBL27833746 | 0.76 | SIRT2 (0.46) | MAPTKDM4EBRD4KMT2AMEN1 | |
| SCHEMBL17593153 | 0.76 | SMN1; SMN2 (0.56) | MAPTCA12CA1CA2CA9 | |
| SCHEMBL3436157 | 0.70 | CA9 (0.48) | MAPTKDM4ECA12CA1CA2 | |
| SCHEMBL28791272 | 0.70 | SMPD1 (0.48) | MAPTKDM4EBRD4HTR7HTR6 | |
| SCHEMBL3436589 | 0.69 | MARS1 (0.58) | MAPTKDM4EHTTALPLSMN1; SMN2 | |
| SCHEMBL14152865 | 0.69 | F11 (0.47) | SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102093341-A | Indole ring substituted pyrazole carboxylic acid endothelin receptor antagonist as well as preparation method and application thereof | TIANJIN INST PHARM RESEARCH | 2011-06-15 | — | — | CN | claimed |
| CN-102093341-B | Indole ring substituted pyrazole carboxylic acid endothelin receptor antagonist as well as preparation method and application thereof | TIANJIN INST PHARM RESEARCH | 2013-07-24 | — | — | CN | disclosed |
| CN-102093341-A | Indole ring substituted pyrazole carboxylic acid endothelin receptor antagonist as well as preparation method and application thereof | TIANJIN INST PHARM RESEARCH | 2011-06-15 | — | — | CN | disclosed |