Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 11/20 | 0.52 |
| ▸ | CA2 | P00918 | 11/20 | 0.52 |
| ▸ | CA4 | P22748 | 7/20 | 0.52 |
| ▸ | CA6 | P23280 | 7/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.33 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.33 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.33 |
| ▸ | TUBB | P07437 | 1/20 | 0.33 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.33 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.33 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.33 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.33 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.33 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.33 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8394 | 0.80 | PTGS2 (0.53) | CA1CA2CA12CA9ABCB1 | |
| SCHEMBL27785866 | 0.78 | CA2 (0.79) | CA1CA2CA4CA6CA12 | |
| SCHEMBL28097340 | 0.73 | CA1 (0.62) | CA1CA2CA4CA6CA12 | |
| SCHEMBL28097327 | 0.73 | CA1 (0.48) | CA1CA2CA4CA6CA12 | |
| SCHEMBL28097332 | 0.71 | CA1 (0.46) | CA1CA2CA4CA6CA12 | |
| SCHEMBL27861380 | 0.70 | CA1 (0.68) | CA1CA2CA4CA6CA12 | |
| SCHEMBL28097331 | 0.70 | CA1 (0.45) | CA1CA2CA4CA6CA12 | |
| SCHEMBL27856761 | 0.70 | CA1 (0.63) | CA1CA2CA4CA6PTPN1 | |
| SCHEMBL27853611 | 0.69 | CA2 (0.76) | CA1CA2CA4CA6CA12 | |
| SCHEMBL6995298 | 0.68 | CYP1A2 (0.54) | ABCB1PTGS2TUBB1TUBB4ATUBB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |