Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.32 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.31 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | STAT6 | P42226 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28131945 | 0.98 | EPHX1 (0.41) | ALDH1A1EPHX1NPC1TSHRTHRB | |
| SCHEMBL5969631 | 0.82 | EPHX1 (0.35) | ALDH1A1EPHX1NPC1THRBCYP2C9 | |
| SCHEMBL1088728 | 0.82 | THRB (0.35) | ALDH1A1EPHX1NPC1THRBCYP2C9 | |
| SCHEMBL7635407 | 0.80 | EPHX1 (0.38) | ALDH1A1EPHX1NPC1THRBCYP2C9 | |
| SCHEMBL5243807 | 0.78 | ALDH1A1 (0.38) | ALDH1A1EPHX1NPC1TSHRTHRB | |
| SCHEMBL28838457 | 0.78 | ALDH1A1 (0.38) | ALDH1A1EPHX1NPC1TSHRTHRB | |
| SCHEMBL1578432 | 0.76 | ALDH1A1 (0.37) | ALDH1A1EPHX1NPC1TSHRTHRB | |
| SCHEMBL23631362 | 0.76 | ALDH1A1 (0.38) | ALDH1A1EPHX1NPC1TSHREPHX2 | |
| SCHEMBL1902323 | 0.76 | MAPT (0.32) | ALDH1A1EPHX1THRBCYP2C9EPHX2 | |
| SCHEMBL20660067 | 0.74 | ALDH1A1 (0.36) | ALDH1A1EPHX1NPC1TSHRTHRB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010123838-A2 | NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF | ABBOTT LABORATORIES (US) | 2010-10-28 | — | — | WO | claimed |
| WO-2010123838-A2 | NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF | ABBOTT LABORATORIES (US) | 2010-10-28 | — | — | WO | disclosed |