Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | F2 | P00734 | 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 | |
|---|---|---|---|---|
| SCHEMBL17560382 | 0.98 | ALDH1A1 (0.41) | ALDH1A1POLBUSP2SMN1; SMN2HPGD | |
| SCHEMBL28664821 | 0.96 | CYP1A2 (0.35) | ALDH1A1POLBUSP2CYP1A2CYP2C9 | |
| SCHEMBL17560379 | 0.81 | HSD11B1 (0.35) | ALDH1A1POLBCYP1A2CYP2C9SMN1; SMN2 | |
| SCHEMBL2025016 | 0.81 | HPGD (0.47) | USP2SMN1; SMN2HPGDNPC1MAPT | |
| SCHEMBL17560409 | 0.81 | ALDH1A1 (0.47) | ALDH1A1POLBSMN1; SMN2HPGDGAA | |
| SCHEMBL29975004 | 0.81 | GAA (0.40) | ALDH1A1POLBSMN1; SMN2HPGDGAA | |
| SCHEMBL30487923 | 0.80 | HPGD (0.50) | ALDH1A1POLBUSP2SMN1; SMN2HPGD | |
| SCHEMBL28856990 | 0.80 | HPGD (0.50) | ALDH1A1POLBUSP2SMN1; SMN2HPGD | |
| SCHEMBL2263812 | 0.77 | — | — | |
| SCHEMBL26614382 | 0.76 | ALDH1A1 (0.42) | ALDH1A1POLBSMN1; SMN2HPGDGAA |
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-2016034134-A1 | HETEROAROMATIC DERIVATIVES AND PHARMACEUTICAL APPLICATIONS THEREOF | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2016-03-10 | — | — | WO | disclosed |