Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CRHBP | P24387 | 1/20 | 0.37 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7764938 | 0.86 | L3MBTL1 (0.44) | ALDH1A1LMNAL3MBTL1KDM4EHSD17B10 | |
| SCHEMBL10892405 | 0.81 | ALDH1A1 (0.48) | ALDH1A1LMNARECQLCYP1A2CYP2C9 | |
| SCHEMBL5493722 | 0.78 | KDM4E (0.45) | ALDH1A1CYP1A2CYP2C19TDP1L3MBTL1 | |
| SCHEMBL30118861 | 0.78 | ALDH1A1 (0.52) | ALDH1A1LMNARECQLCYP1A2CYP2C9 | |
| SCHEMBL1699762 | 0.77 | ALDH1A1 (0.50) | ALDH1A1LMNARECQLCYP1A2CYP2C9 | |
| SCHEMBL779786 | 0.77 | HTT (0.53) | ALDH1A1LMNACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL27797077 | 0.77 | CYP3A4 (0.41) | ALDH1A1LMNATDP1L3MBTL1KDM4E | |
| SCHEMBL27818346 | 0.77 | ALDH1A1 (0.52) | ALDH1A1TDP1HSD17B10SMN1; SMN2 | |
| SCHEMBL27797384 | 0.75 | LTA4H (0.50) | ALDH1A1LMNARECQLKDM4EMAPT | |
| SCHEMBL28788873 | 0.75 | TDP1 (0.40) | ALDH1A1LMNACYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101501051-A | Amides as sphingomyeline inhibitors | NOVARTIS AG (CH) | 2009-08-05 | — | — | CN | disclosed |