Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 1/20 | 0.57 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | BRD2 | P25440 | 1/20 | 0.46 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.46 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.46 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.46 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 3/20 | 0.46 |
| ▸ | MAOA | P21397 | 3/20 | 0.45 |
| ▸ | MAOB | P27338 | 3/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL426336 | 0.90 | NPC1 (0.55) | CA9TNIKALDH1A1POLBMAPT | |
| Phenol SCHEMBL6582797 | 0.86 | NPC1 (0.56) | TNIKMAPTNPC1MAPK13MAPK12 | |
| SCHEMBL736368 | 0.83 | CA9 (0.73) | CA9ALDH1A1POLBMAPTHTT | |
| Hydrochloric Acid SCHEMBL17544899 | 0.82 | CA9 (0.71) | CA9ALDH1A1POLBMAPTHTT | |
| SCHEMBL4594845 | 0.81 | KIF11 (0.68) | CA9ALDH1A1POLBMAPTHTT | |
| SCHEMBL28979239 | 0.80 | MAPT (0.53) | TNIKMAPTBRD4NPC1MAPK13 | |
| SCHEMBL6405990 | 0.80 | MAPT (0.58) | TNIKMAPTBRD4NPC1MAPK13 | |
| SCHEMBL29946465 | 0.80 | MAPT (0.58) | TNIKMAPTBRD4NPC1MAPK13 | |
| SCHEMBL8751 | 0.76 | CA9 (0.62) | CA9TNIKALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL29438605 | 0.76 | CA9 (0.62) | CA9TNIKALDH1A1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1272484-A2 | BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS | Pfizer Products Inc. (US) | 2003-01-08 | — | — | EP | disclosed |
| WO-2001077100-A2 | BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS | PFIZER PRODUCTS INC. (US) | 2001-10-18 | — | — | WO | disclosed |