Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL16534446 | 0.81 | EPHX2 (0.35) | ALDH1A1TSHRCYP2C9THRBEPHX1 | |
| SCHEMBL59961 | 0.81 | CYP2C9 (0.36) | ALDH1A1CYP2C9THRBEPHX1EPHX2 | |
| SCHEMBL5243807 | 0.79 | ALDH1A1 (0.38) | ALDH1A1TSHRCYP2C9THRBEPHX1 | |
| SCHEMBL2842581 | 0.79 | LMNA (0.32) | ALDH1A1TSHRCYP2C9THRBCRHBP | |
| SCHEMBL2841735 | 0.78 | ALDH1A1 (0.38) | ALDH1A1TSHRCYP2C9THRBEPHX1 | |
| SCHEMBL26180792 | 0.78 | CYP2C9 (0.34) | ALDH1A1CYP2C9THRBEPHX1NPC1 | |
| SCHEMBL1578432 | 0.78 | ALDH1A1 (0.37) | ALDH1A1TSHRCYP2C9THRBEPHX1 | |
| SCHEMBL20660067 | 0.76 | ALDH1A1 (0.36) | ALDH1A1TSHRCYP2C9THRBEPHX1 | |
| Hydrochloric Acid SCHEMBL28131945 | 0.76 | EPHX1 (0.41) | ALDH1A1TSHRCYP2C9THRBEPHX1 | |
| SCHEMBL1326077 | 0.76 | ALDH1A1 (0.42) | ALDH1A1TSHRCYP2C9THRBEPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104903290-B | Compound having ability to inhibit 11beta-HSD1 enzyme or pharmaceutically acceptable salt thereof, method for producing same, and pharmaceutical composition containing same as active ingredient | 安国乐品株式会社 | 2017-04-26 | — | — | CN | disclosed |
| CN-103772239-B | amide and amidine derivatives and uses thereof | ABBVIE 公司 | 2017-04-12 | — | — | CN | disclosed |