Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.35 |
| ▸ | BCL2L11 | O43521 | 1/20 | 0.34 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | GUSB | P08236 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL10041228 | 0.85 | ALDH1A1 (0.57) | ALDH1A1TP53MCL1TDP1POLB | |
| SCHEMBL29641926 | 0.79 | MEN1 (0.49) | HPGDALDH1A1TP53TRPA1PTGS2 | |
| SCHEMBL13816956 | 0.75 | CYP4F2 (0.58) | HPGDALDH1A1MCL1KDM4EKMT2A | |
| SCHEMBL10041230 | 0.74 | ALDH1A1 (0.42) | HPGDCYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL23159925 | 0.74 | TDP1 (0.37) | ALDH1A1TP53MCL1TDP1TRPA1 | |
| SCHEMBL1164171 | 0.73 | TSHR (0.57) | HPGDCYP1A2ALDH1A1TP53MCL1 | |
| SCHEMBL23164993 | 0.73 | MCL1 (0.31) | ALDH1A1MCL1 | |
| SCHEMBL699001 | 0.73 | ALDH1A1 (0.68) | HPGDCYP1A2CYP3A4CYP2C19ALDH1A1 | |
| Formic Acid SCHEMBL27776658 | 0.72 | ALDH1A1 (0.59) | ALDH1A1TDP1NPC1RAB9AGUSB | |
| SCHEMBL14890 | 0.72 | ALDH1A1 (0.58) | CYP3A4ALDH1A1TP53TDP1NPC1 |
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-2012019496-A1 | C-ARYL GLUCOSIDE DERIVATIVES, PREPARATION RPOCESS AND PHARMACEUTICAL USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2012-02-16 | — | — | WO | disclosed |