Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | NR5A2 | O00482 | 1/20 | 0.35 |
| ▸ | NR5A1 | Q13285 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7223876 | 0.88 | ALDH1A1 (0.52) | ALDH1A1GAATDP1KCNJ11SMN1; SMN2 | |
| SCHEMBL7223178 | 0.85 | ALDH1A1 (0.46) | ALDH1A1GAATDP1KCNJ11MEN1 | |
| SCHEMBL7224192 | 0.83 | ALDH1A1 (0.47) | ALDH1A1GAATDP1SMN1; SMN2KDM4E | |
| SCHEMBL7225402 | 0.81 | ALDH1A1 (0.50) | ALDH1A1GAATDP1KCNJ11SMN1; SMN2 | |
| SCHEMBL7223760 | 0.80 | ALDH1A1 (0.45) | ALDH1A1GAATDP1KCNJ11SMN1; SMN2 | |
| SCHEMBL7219606 | 0.80 | ALDH1A1 (0.45) | ALDH1A1GAATDP1SMN1; SMN2KDM4E | |
| SCHEMBL15329522 | 0.77 | ALDH1A1 (0.41) | ALDH1A1TDP1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL7219189 | 0.75 | ALDH1A1 (0.45) | ALDH1A1GAATDP1SMN1; SMN2KDM4E | |
| SCHEMBL7224330 | 0.73 | ALDH1A1 (0.72) | ALDH1A1GAATDP1SMN1; SMN2MEN1 | |
| SCHEMBL2343577 | 0.73 | TSHR (0.41) | ALDH1A1GAATDP1HDAC3HDAC6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6521603-B2 | Amide, thioamide, amidine and thioester derivatives containing a benzene, pyridine, thiophene, furan, pyrrole, pyrazole, thiazole or isothiazole ring | MONSANTO TECHNOLOGY LLC | 2003-02-18 | — | — | US | claimed |