Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL9080400 | 0.78 | KDM4E (0.49) | MAPTKDM4ESMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL12326165 | 0.71 | MAPT (0.56) | MAPTKDM4ESMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL29697785 | 0.71 | MAPT (0.56) | MAPTKDM4ESMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL23410559 | 0.71 | KDM4E (0.44) | KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A | |
| SCHEMBL8709741 | 0.70 | MAPT (0.46) | MAPTKDM4ESMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL8715460 | 0.70 | MAPT (0.49) | MAPTKDM4ESMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL16911720 | 0.70 | MAPT (0.54) | MAPTKDM4ESMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL22122468 | 0.69 | ALDH1A1 (0.50) | MAPTKDM4ESMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL25729038 | 0.69 | MEN1 (0.39) | MAPTKDM4ESMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL11626196 | 0.69 | PDE4A (0.76) | MAPTKDM4ESMN1; SMN2HPGDALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998017276-A1 | HETEROARYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-04-30 | — | — | WO | disclosed |
| WO-1998017660-A1 | PHENYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-04-30 | — | — | WO | disclosed |