Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 11/20 | 0.50 |
| ▸ | CES1 | P23141 | 7/20 | 0.48 |
| ▸ | CES2 | O00748 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 2/20 | 0.40 |
| ▸ | PPARD | Q03181 | 2/20 | 0.40 |
| ▸ | PPARA | Q07869 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | TLR2 | O60603 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL4450230 | 0.98 | FAAH (0.48) | FAAHCES1CES2MEN1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL29185047 | 0.90 | CES2 (0.51) | FAAHCES1CES2MEN1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL28538609 | 0.88 | ALDH1A1 (0.35) | FAAHCES1CES2MEN1CYP1A2 | |
| Trifluoroacetic Acid SCHEMBL28222242 | 0.85 | ALDH1A1 (0.40) | ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL2989718 | 0.85 | ALDH1A1 (0.44) | MEN1KMT2AHSD17B10ALDH1A1 | |
| Hexane SCHEMBL7285682 | 0.83 | AKR1B1 (0.48) | CES1CES2MEN1KMT2AHSD17B10 | |
| Trifluoroacetic Acid SCHEMBL8721639 | 0.83 | ALDH1A1 (0.42) | MEN1KMT2AALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL28293684 | 0.83 | ALDH1A1 (0.42) | MEN1KMT2AALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL1505073 | 0.83 | ALDH1A1 (0.42) | MEN1KMT2AALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL29581339 | 0.82 | FAAH (0.54) | FAAHCES1CES2MEN1CYP1A2 |
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-113945672-B | Method for detecting ticagrelor and related substances thereof | 武汉武药科技有限公司 | 2024-03-12 | — | — | CN | disclosed |
| CN-113945672-A | Method for detecting ticagrelor and related substances thereof | 武汉武药科技有限公司 | 2022-01-18 | — | — | CN | disclosed |