Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Squalamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.97 |
| ▸ | NR1H4 | Q96RI1 | 8/20 | 0.53 |
| ▸ | SLC10A1 | Q14973 | 3/20 | 0.51 |
| ▸ | GPBAR1 | Q8TDU6 | 9/20 | 0.51 |
| ▸ | SLC10A2 | Q12908 | 2/20 | 0.48 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.48 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Squalamine SCHEMBL14441307 | 1.00 | PTPN1 (0.97) | PTPN1NR1H4SLC10A1GPBAR1SLC10A2 | |
| Squalamine SCHEMBL17359656 | 1.00 | PTPN1 (0.97) | PTPN1NR1H4SLC10A1GPBAR1SLC10A2 | |
| Squalamine SCHEMBL16072074 | 1.00 | PTPN1 (0.97) | PTPN1NR1H4SLC10A1GPBAR1SLC10A2 | |
| Squalamine SCHEMBL13294189 | 1.00 | PTPN1 (0.97) | PTPN1NR1H4SLC10A1GPBAR1SLC10A2 | |
| Squalamine SCHEMBL14430016 | 1.00 | PTPN1 (0.97) | PTPN1NR1H4SLC10A1GPBAR1SLC10A2 | |
| Squalamine SCHEMBL12836 | 1.00 | PTPN1 (0.97) | PTPN1NR1H4SLC10A1GPBAR1SLC10A2 | |
| Squalamine SCHEMBL18838926 | 1.00 | PTPN1 (0.97) | PTPN1NR1H4SLC10A1GPBAR1SLC10A2 | |
| Squalamine SCHEMBL22356672 | 1.00 | PTPN1 (0.97) | PTPN1NR1H4SLC10A1GPBAR1SLC10A2 | |
| Squalamine SCHEMBL20850040 | 1.00 | PTPN1 (0.97) | PTPN1NR1H4SLC10A1GPBAR1SLC10A2 | |
| Squalamine SCHEMBL13014098 | 1.00 | PTPN1 (0.97) | PTPN1NR1H4SLC10A1GPBAR1SLC10A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3749633-A1 | TARGETING OCULAR DISEASES WITH NOVEL APE1/REF-1 INHIBITORS | Indiana University Research and Technology Corporation (US) | 2020-12-16 | — | — | EP | disclosed |
| US-10752901-B2 | Inhibition of ferrochelatase as an antiangiogenic therapy | INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) | 2020-08-25 | — | — | US | disclosed |
| WO-2019157163-A1 | TARGETING OCULAR DISEASES WITH NOVEL APE1/REF-1 INHIBITORS | INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) | 2019-08-15 | — | — | WO | disclosed |