Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.54 |
| ▸ | CA2 | P00918 | 7/20 | 0.54 |
| ▸ | CA4 | P22748 | 5/20 | 0.54 |
| ▸ | CA6 | P23280 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | MEN1 | O00255 | 5/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.52 |
| ▸ | HTT | P42858 | 4/20 | 0.52 |
| ▸ | HPGD | P15428 | 3/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL27785866 | 0.79 | CA2 (0.79) | CA1CA2CA4CA6CYP3A4 | |
| SCHEMBL21264324 | 0.77 | HSD17B10 (0.59) | ALDH1A1MEN1KMT2AHTTHPGD | |
| SCHEMBL3471747 | 0.77 | HPGD (0.59) | ALDH1A1MEN1KMT2AHTTHPGD | |
| SCHEMBL3471744 | 0.77 | HPGD (0.59) | ALDH1A1MEN1KMT2AHTTHPGD | |
| SCHEMBL15463039 | 0.77 | HPGD (0.59) | ALDH1A1MEN1KMT2AHTTHPGD | |
| SCHEMBL12120526 | 0.76 | HSD17B10 (0.75) | ALDH1A1MEN1KMT2AHTTHPGD | |
| SCHEMBL28097340 | 0.74 | CA1 (0.62) | CA1CA2CA4CA6CYP1A2 | |
| SCHEMBL22824610 | 0.73 | ALDH1A1 (0.54) | ALDH1A1MEN1KMT2AHTTHPGD | |
| SCHEMBL10050296 | 0.71 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2AHTTHPGD | |
| SCHEMBL30393930 | 0.71 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2AHTTHPGD |
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-106278941-A | Nine kinds of PTP1B inhibitor and synthesis thereof and application | 南通中国科学院海洋研究所海洋科学与技术研究发展中心 | 2017-01-04 | — | — | CN | claimed |
| CN-106278941-B | Nine kinds of PTP1B inhibitor and its synthesis and application | 南通中国科学院海洋研究所海洋科学与技术研究发展中心 | 2018-04-17 | — | — | CN | disclosed |
| CN-106278941-A | Nine kinds of PTP1B inhibitor and synthesis thereof and application | 南通中国科学院海洋研究所海洋科学与技术研究发展中心 | 2017-01-04 | — | — | CN | disclosed |