Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 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 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL6860976 | 0.81 | GAA (0.38) | ALDH1A1EPHX1NPC1TSHRTHRB | |
| SCHEMBL5248488 | 0.81 | THRB (0.36) | ALDH1A1EPHX1THRBCYP2C9EPHX2 | |
| SCHEMBL5832574 | 0.79 | EPHX2 (0.39) | ALDH1A1EPHX1NPC1TSHRTHRB | |
| Bromide SCHEMBL27511892 | 0.79 | THRB (0.35) | ALDH1A1EPHX1THRBCYP2C9EPHX2 | |
| Hydrochloric Acid SCHEMBL27525501 | 0.79 | THRB (0.35) | ALDH1A1EPHX1THRBCYP2C9EPHX2 | |
| SCHEMBL6854374 | 0.79 | EPHX1 (0.34) | ALDH1A1EPHX1NPC1THRBCYP2C9 | |
| SCHEMBL4217116 | 0.77 | THRB (0.35) | ALDH1A1EPHX1NPC1TSHRTHRB | |
| SCHEMBL5832577 | 0.76 | THRB (0.37) | ALDH1A1EPHX1NPC1TSHRTHRB | |
| SCHEMBL5616152 | 0.76 | GAA (0.39) | ALDH1A1EPHX1NPC1EPHX2GAA | |
| SCHEMBL3476230 | 0.76 | ALDH1A1 (0.37) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3758697-A1 | NOVEL ANTIMYCOBACTERIAL HETEROCYCLIC AMIDES | Crestone, Inc. (US) | 2021-01-06 | — | — | EP | claimed |
| WO-2010123838-A2 | NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF | ABBOTT LABORATORIES (US) | 2010-10-28 | — | — | WO | claimed |
| CN-103772239-B | amide and amidine derivatives and uses thereof | ABBVIE 公司 | 2017-04-12 | — | — | CN | disclosed |
| WO-2010123838-A2 | NOVEL AMIDE AND AMIDINE DERIVATIVES AND USES THEREOF | ABBOTT LABORATORIES (US) | 2010-10-28 | — | — | WO | disclosed |