Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CHKA | P35790 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ECE2 | P0DPD6 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | BPTF | Q12830 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 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 | |
|---|---|---|---|---|
| SCHEMBL295163 | 0.88 | ALDH1A1 (0.50) | SMN1; SMN2ALDH1A1ATMNPC1HPGD | |
| SCHEMBL2696686 | 0.86 | ALDH1A1 (0.48) | SMN1; SMN2ALDH1A1ATMNPC1HPGD | |
| SCHEMBL24693081 | 0.73 | CA2 (0.50) | CA2CHKASMN1; SMN2ALDH1A1ATM | |
| SCHEMBL4212544 | 0.72 | ALDH1A1 (0.37) | SMN1; SMN2ALDH1A1ATMHPGDGAA | |
| SCHEMBL4219173 | 0.71 | FAAH (0.39) | SMN1; SMN2ALDH1A1ATMNPC1HPGD | |
| SCHEMBL2696781 | 0.71 | L3MBTL1 (0.53) | SMN1; SMN2ALDH1A1NPC1L3MBTL1POLB | |
| SCHEMBL4216418 | 0.71 | TDP1 (0.46) | SMN1; SMN2L3MBTL1POLBKMT2ATDP1 | |
| Azepane SCHEMBL8788594 | 0.70 | ATM (0.50) | CA2CHKASMN1; SMN2ALDH1A1ATM | |
| SCHEMBL4630198 | 0.70 | CA2 (0.61) | CA2CHKASMN1; SMN2ALDH1A1ATM | |
| SCHEMBL4870186 | 0.69 | ALDH1A1 (0.37) | SMN1; SMN2ALDH1A1NPC1L3MBTL1MEN1 |
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-2008109286-A1 | METHODS FOR TREATING COGNITIVE DISORDERS USING 1-ARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 1-HETEROARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES AND RELATED COMPOUNDS | ALLERGAN, INC. (US) | 2008-09-12 | — | — | WO | disclosed |