Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | TDO2 | P48775 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29856072 | 0.79 | IDO1 (0.40) | ALDH1A1MAPTMAPK1HTTKMT2A | |
| Ammonia Solution, Strong SCHEMBL29119872 | 0.78 | IDO1 (0.39) | ALDH1A1MAPTMAPK1HTTKMT2A | |
| SCHEMBL5450128 | 0.74 | KMT2A (0.33) | MAPK1HTTKMT2A | |
| SCHEMBL7445813 | 0.70 | ADRA2A (0.38) | — | |
| SCHEMBL11639976 | 0.68 | ALDH1A1 (0.43) | ALDH1A1MAPTKMT2ANPSR1 | |
| SCHEMBL9090435 | 0.68 | CES2 (0.33) | ALDH1A1MAPK1HTTKMT2A | |
| SCHEMBL7510243 | 0.67 | KMT2A (0.44) | ALDH1A1KMT2A | |
| SCHEMBL11531757 | 0.67 | KMT2A (0.35) | ALDH1A1KMT2A | |
| SCHEMBL1273034 | 0.66 | NPSR1 (0.39) | ALDH1A1MAPTMAPK1HTTKMT2A | |
| SCHEMBL21831821 | 0.66 | IDO1 (0.45) | KMT2AIDO1TDO2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0829480-B1 | Tetrazolyl-substituted quinuclidines as substance P antagonists | PFIZER (US) | 2000-12-20 | — | — | EP | disclosed |
| US-5939434-A | Tetrazolyl-substituted quinuclidines as substance P antagonists | PFIZER PHARMACEUTICALS INC. (JP) | 1999-08-17 | — | — | US | disclosed |
| EP-0829480-A2 | Tetrazolyl-substituted quinuclidines as substance P antagonists | PFIZER INC. (US) | 1998-03-18 | — | — | EP | disclosed |