Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.45 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.45 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | TAS2R14 | Q9NYV8 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28896946 | 1.00 | TSHR (0.59) | TSHRCYP2D6ALDH1A1ENPP3ENPP1 | |
| SCHEMBL21987714 | 0.92 | CYP2D6 (0.52) | TSHRCYP2D6ALDH1A1ENPP3ENPP1 | |
| SCHEMBL22553706 | 0.87 | CYP2D6 (0.52) | TSHRCYP2D6ALDH1A1ENPP3ENPP1 | |
| SCHEMBL989553 | 0.87 | CYP2D6 (0.52) | TSHRCYP2D6ALDH1A1ENPP3ENPP1 | |
| SCHEMBL4522270 | 0.87 | CYP2D6 (0.48) | TSHRCYP2D6ALDH1A1ENPP3ENPP1 | |
| SCHEMBL22230736 | 0.87 | CYP2D6 (0.48) | TSHRCYP2D6ALDH1A1ENPP3ENPP1 | |
| SCHEMBL4522267 | 0.87 | CYP2D6 (0.48) | TSHRCYP2D6ALDH1A1ENPP3ENPP1 | |
| SCHEMBL4522264 | 0.87 | CYP2D6 (0.48) | TSHRCYP2D6ALDH1A1ENPP3ENPP1 | |
| SCHEMBL4318482 | 0.85 | CYP2D6 (0.56) | TSHRCYP2D6ALDH1A1ENPP3ENPP1 | |
| SCHEMBL17362258 | 0.84 | CYP2D6 (0.45) | TSHRCYP2D6ALDH1A1ENPP3ENPP1 |
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-111434655-A | Lysophosphatidic acid receptor antagonists and process for their preparation | 武汉朗来科技发展有限公司 | 2020-07-21 | — | — | CN | disclosed |
| CN-111434653-A | Triazole compound and preparation method and application thereof | 武汉朗来科技发展有限公司 | 2020-07-21 | — | — | CN | disclosed |