Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3404366 | 0.77 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2HSP90AB1KDM4ERAB9A | |
| SCHEMBL29526036 | 0.76 | ACLY (0.46) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL22774147 | 0.76 | ACLY (0.46) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL30366498 | 0.76 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2LMNAHSP90AB1LTA4H | |
| SCHEMBL7168206 | 0.75 | CLK4 (0.51) | SMN1; SMN2LMNAMAPTRAB9A | |
| SCHEMBL28444605 | 0.73 | LTA4H (0.46) | ALDH1A1SMN1; SMN2LMNALTA4HNPSR1 | |
| Ammonia Solution, Strong SCHEMBL20919857 | 0.73 | LTA4H (0.77) | ALDH1A1SMN1; SMN2LMNALTA4HCYP2D6 | |
| SCHEMBL3451541 | 0.72 | KDM4E (0.67) | ALDH1A1SMN1; SMN2LMNAHSP90AB1MAPK1 | |
| SCHEMBL3408439 | 0.72 | ALDH1A1 (0.45) | ALDH1A1LMNAHSP90AB1TSHRKDM4E | |
| SCHEMBL29936980 | 0.72 | MAPT (0.46) | ALDH1A1SMN1; SMN2LMNALTA4HNPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005003103-A2 | 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | ASTRAZENECA AB (SE) | 2005-01-13 | — | — | WO | disclosed |
| WO-2005003103-A2 | 2, 4, 6-TRI-SUBSTITUTED 6-MEMBERED HETEROCYCLES AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES | ASTRAZENECA AB (SE) | 2005-01-13 | — | — | WO | disclosed |