Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGBL2 | Q5U5Z8 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 10/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13801193 | 0.72 | ALDH1A1 (0.43) | ALDH1A1HSP90AA1MAPTHPGDHTT | |
| SCHEMBL7916641 | 0.71 | CHRNB2 (0.45) | TACR1 | |
| SCHEMBL5345569 | 0.71 | TACR1 (0.37) | ALDH1A1HSP90AA1MAPTHPGDHTT | |
| SCHEMBL6541068 | 0.71 | NOTUM (0.46) | ALDH1A1HSP90AA1MAPTHPGDHTT | |
| SCHEMBL13629596 | 0.70 | TACR1 (0.46) | ALDH1A1HSP90AA1MAPTHPGDHTT | |
| SCHEMBL13629600 | 0.70 | LMNA (0.45) | ALDH1A1HSP90AA1MAPTHPGDHTT | |
| SCHEMBL25376066 | 0.70 | AGBL2 (0.65) | AGBL2ALDH1A1HPGDHTTCYP1A2 | |
| SCHEMBL30481831 | 0.70 | AGBL2 (0.65) | AGBL2ALDH1A1HPGDHTTCYP1A2 | |
| SCHEMBL8326702 | 0.69 | TACR1 (0.38) | ALDH1A1HPGDHTTTACR1 | |
| SCHEMBL5338473 | 0.69 | HTT (0.40) | ALDH1A1HSP90AA1MAPTHPGDHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007089031-A1 | PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-08-09 | — | — | WO | disclosed |