Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | HPGD | P15428 | 6/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6191221 | 0.85 | HTT (0.45) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL21614128 | 0.80 | ALDH1A1 (0.39) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL16580958 | 0.79 | HPGD (0.40) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL12125020 | 0.79 | HPGD (0.43) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL3782096 | 0.77 | HPGD (0.40) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL5200518 | 0.76 | KCNMA1 (0.47) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL1230919 | 0.76 | PTK2 (0.50) | ALDH1A1JAK2JAK3HTT | |
| SCHEMBL5584219 | 0.76 | CHRM5 (0.38) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL14068342 | 0.75 | ALDH1A1 (0.35) | ALDH1A1HPGDSMN1; SMN2NPC1RAB9A | |
| SCHEMBL3288220 | 0.74 | KDM4E (0.51) | ALDH1A1HPGDSMN1; SMN2RAB9ACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2187893-A2 | BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS | Anacor Pharmaceuticals, Inc. (US) | 2010-05-26 | — | — | EP | disclosed |
| WO-2009111676-A2 | BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS | ANACOR PHARMACEUTICALS, INC (US) | 2009-09-11 | — | — | WO | disclosed |