Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.35 |
| ▸ | HPGD | P15428 | 6/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.33 |
| ▸ | BCL6 | P41182 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6191221 | 0.78 | HTT (0.45) | ALDH1A1HPGDHTTSMN1; SMN2NPC1 | |
| SCHEMBL16580958 | 0.76 | HPGD (0.40) | ALDH1A1HPGDHTTSMN1; SMN2NPC1 | |
| SCHEMBL3783787 | 0.75 | ALDH1A1 (0.40) | ALDH1A1HPGDHTTSMN1; SMN2NPC1 | |
| SCHEMBL21614128 | 0.73 | ALDH1A1 (0.39) | ALDH1A1HPGDHTTSMN1; SMN2NPC1 | |
| SCHEMBL1230919 | 0.73 | PTK2 (0.50) | ALDH1A1HTTJAK2JAK3PTK2 | |
| SCHEMBL12125020 | 0.72 | HPGD (0.43) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL5200518 | 0.70 | KCNMA1 (0.47) | ALDH1A1HPGDHTTSMN1; SMN2NPC1 | |
| SCHEMBL5584219 | 0.70 | CHRM5 (0.38) | ALDH1A1HPGDHTTSMN1; SMN2NPC1 | |
| SCHEMBL28708954 | 0.69 | ELANE (0.38) | ALDH1A1HPGDELANEJAK2JAK3 | |
| SCHEMBL31042821 | 0.69 | ELANE (0.41) | ALDH1A1HPGDELANEPOLBJAK2 |
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-2008115369-A2 | INHIBITORS OF FOCAL ADHESION KINASE | THE SCRIPPS RESEARCH INSTITUTE (US) | 2008-09-25 | — | — | WO | disclosed |