Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 10/20 | 0.46 |
| ▸ | CA2 | P00918 | 10/20 | 0.46 |
| ▸ | CA4 | P22748 | 6/20 | 0.46 |
| ▸ | CA6 | P23280 | 6/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28097331 | 0.79 | CA1 (0.45) | CA1CA2CA4CA6CA12 | |
| SCHEMBL28097327 | 0.74 | CA1 (0.48) | CA1CA2CA4CA6CA12 | |
| SCHEMBL27785866 | 0.72 | CA2 (0.79) | CA1CA2CA4CA6CA12 | |
| SCHEMBL28202170 | 0.71 | CA1 (0.52) | CA1CA2CA4CA6CA12 | |
| SCHEMBL28097340 | 0.68 | CA1 (0.62) | CA1CA2CA4CA6CA12 | |
| SCHEMBL27861380 | 0.66 | CA1 (0.68) | CA1CA2CA4CA6CA12 | |
| SCHEMBL14954350 | 0.65 | CA2 (0.62) | CA1CA2CA4CA6CA12 | |
| SCHEMBL27856761 | 0.65 | CA1 (0.63) | CA1CA2CA4CA6PTPN1 | |
| SCHEMBL28097398 | 0.64 | CA1 (0.54) | CA1CA2CA4CA6SMN1; SMN2 | |
| SCHEMBL27853611 | 0.64 | CA2 (0.76) | CA1CA2CA4CA6CA12 |
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-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-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 |