Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | APAF1 | O14727 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | GPR18 | Q14330 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27811235 | 0.85 | MTNR1A (0.44) | MTNR1ASMN1; SMN2NPC1ALDH1A1KDM4E | |
| SCHEMBL28791251 | 0.80 | MTNR1A (0.44) | MTNR1ASMN1; SMN2NPC1ALDH1A1KDM4E | |
| SCHEMBL27811234 | 0.77 | MAPT (0.44) | NPC1KDM4EMAPTCYP2C19RAB9A | |
| SCHEMBL28791272 | 0.68 | SMPD1 (0.48) | NPC1KDM4EMAPTRAB9A | |
| SCHEMBL10990213 | 0.67 | KDM4E (0.58) | SMN1; SMN2NPC1ALDH1A1KDM4EL3MBTL1 | |
| SCHEMBL16039679 | 0.67 | PKM (0.51) | SMN1; SMN2ALDH1A1KDM4EL3MBTL1MAPT | |
| SCHEMBL266641 | 0.67 | SLC6A4 (0.68) | MTNR1ASMN1; SMN2NPC1ALDH1A1KDM4E | |
| SCHEMBL9265264 | 0.67 | SLC6A4 (0.56) | MTNR1ASMN1; SMN2NPC1ALDH1A1KDM4E | |
| SCHEMBL28358874 | 0.66 | HTR2A (0.48) | NPC1ALDH1A1KDM4EMAPTCYP1A2 | |
| SCHEMBL7602497 | 0.66 | MAPT (0.59) | ALDH1A1KDM4EL3MBTL1MAPTRECQL |
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 |
|---|---|---|---|---|---|---|---|
| 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 |