Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 5/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.42 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.42 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.42 |
| ▸ | DGKA | P23743 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18631797 | 1.00 | NAAA (0.47) | NAAATSHRALDH1A1CES2EPHX1 | |
| SCHEMBL3394431 | 0.98 | NAAA (0.43) | NAAATSHRALDH1A1CES2EPHX1 | |
| SCHEMBL1722804 | 0.91 | — | — | |
| SCHEMBL5038236 | 0.86 | NAAA (0.42) | NAAATSHRALDH1A1CES2EPHX1 | |
| SCHEMBL5032705 | 0.84 | NAAA (0.41) | NAAATSHRALDH1A1CES2EPHX1 | |
| SCHEMBL10615595 | 0.82 | TSHR (0.50) | NAAATSHRCES2EPHX1LPAR3 | |
| SCHEMBL27882777 | 0.81 | — | — | |
| SCHEMBL9461649 | 0.80 | NAAA (0.48) | NAAATSHRALDH1A1CES2EPHX1 | |
| SCHEMBL8512927 | 0.80 | NAAA (0.48) | NAAATSHRALDH1A1CES2EPHX1 | |
| SCHEMBL13858877 | 0.80 | CES2 (0.52) | NAAATSHRALDH1A1CES2EPHX1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112266400-B | Antitumor compounds | 中国医学科学院医药生物技术研究所 | 2022-02-22 | — | — | CN | disclosed |
| CN-112266400-A | Antitumor compounds | 中国医学科学院医药生物技术研究所 | 2021-01-26 | — | — | CN | disclosed |
| CN-112245391-A | Antitumor lipid composition | 中国医学科学院医药生物技术研究所 | 2021-01-22 | — | — | CN | disclosed |