Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.38 |
| ▸ | TACR1 | P25103 | 5/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.34 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL6923013 | 0.76 | ATM (0.34) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4216728 | 0.75 | SMN1; SMN2 (0.55) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4204766 | 0.75 | ALDH1A1 (0.58) | ALDH1A1MAPTHTTSMN1; SMN2HPGD | |
| SCHEMBL4205517 | 0.73 | KCNN4 (0.56) | ALDH1A1MAPTHTTTACR1HPGD | |
| SCHEMBL13629596 | 0.72 | TACR1 (0.46) | ALDH1A1MAPTHTTKDM4ETACR1 | |
| SCHEMBL5781675 | 0.72 | ALDH1A1 (0.45) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL13630147 | 0.72 | TACR1 (0.46) | ALDH1A1MAPTHTTKDM4ETACR1 | |
| SCHEMBL8176205 | 0.71 | TACR1 (0.48) | ALDH1A1MAPTKDM4ETACR1HPGD | |
| SCHEMBL7916517 | 0.71 | TACR1 (0.36) | ALDH1A1MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8530555 | 0.71 | TACR1 (0.46) | ALDH1A1MAPTKDM4ETACR1HPGD |
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-2004111000-A2 | PIPERIDYL DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS | ASTELLAS PHARMA INC. (JP) | 2004-12-23 | — | — | WO | disclosed |