Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | GFER | P55789 | 1/20 | 0.51 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | YWHAG | P61981 | 1/20 | 0.42 |
| ▸ | SELP | P16109 | 3/20 | 0.41 |
| ▸ | SELPLG | Q14242 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6553321 | 0.99 | ALDH1A1 (0.50) | ALDH1A1GAAGFERSLC7A5BACE1 | |
| SCHEMBL8709712 | 0.94 | ALDH1A1 (0.48) | ALDH1A1GAAGFERSLC7A5BACE1 | |
| SCHEMBL8200563 | 0.87 | ALDH1A1 (0.51) | ALDH1A1GAAGFERSLC7A5CYP4F2 | |
| SCHEMBL2589280 | 0.86 | PPARA (0.48) | BACE1CYP4F2CYP4A11ALOX5NPC1 | |
| SCHEMBL8200129 | 0.86 | JAK2 (0.49) | SLC7A5CYP4F2CYP4A11HPGDSELP | |
| SCHEMBL9202609 | 0.84 | ALDH1A1 (0.59) | ALDH1A1GAAGFERSLC7A5BACE1 | |
| SCHEMBL7035349 | 0.82 | ALDH1A1 (0.50) | ALDH1A1GAAGFERSLC7A5CYP4F2 | |
| SCHEMBL8200551 | 0.82 | PPARA (0.44) | CYP4F2CYP4A11ALOX5NPC1PKM | |
| SCHEMBL14768426 | 0.80 | GAA (0.70) | ALDH1A1GAAGFERSLC7A5CYP4F2 | |
| SCHEMBL7725121 | 0.79 | BACE1 (0.55) | BACE1ALOX5HPGDTHRATHRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0840606-B1 | DI- AND TRIVALENT SMALL MOLECULE SELECTIN INHIBITORS | TEXAS BIOTECHNOLOGY CORP (US) | 2000-06-07 | — | — | EP | disclosed |
| US-5919768-A | COMPOUNDS WHICH INHIBIT BINDING OF SELECTINS TO SIALYL-LEWIS-X AND SIALYL-LEWIS-A CARBOHYDRATES | TEXAS BIOTECHNOLOGY CORPORATION (US) | 1999-07-06 | — | — | US | disclosed |