Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.70 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.48 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.48 |
| ▸ | ITGAL | P20701 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CRHBP | P24387 | 2/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PTPRC | P08575 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27575178 | 0.85 | ITGB2 (0.70) | ABCG2PKMTSHRITGB2ICAM1 | |
| SCHEMBL14417491 | 0.84 | ABCG2 (1.00) | ABCG2PKMTSHRITGB2ICAM1 | |
| SCHEMBL8711 | 0.84 | — | — | |
| SCHEMBL29353984 | 0.84 | — | — | |
| SCHEMBL4424499 | 0.84 | — | — | |
| Formaldehyde SCHEMBL27287668 | 0.81 | ABCG2 (0.82) | ABCG2PKMTSHRITGB2ICAM1 | |
| Methane SCHEMBL23532210 | 0.81 | ABCG2 (0.93) | ABCG2PKMTSHRITGB2ICAM1 | |
| Water SCHEMBL27703625 | 0.81 | ABCG2 (0.93) | ABCG2PKMTSHRITGB2ICAM1 | |
| Hydrochloric Acid SCHEMBL4243178 | 0.81 | ABCG2 (0.93) | ABCG2PKMTSHRITGB2ICAM1 | |
| Benzene SCHEMBL28224106 | 0.81 | ABCG2 (0.93) | ABCG2PKMTSHRITGB2ICAM1 |
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-102170787-B | Compounds, compositions and methods for the treatment of beta-amyloid diseases and synucleinopathies | PROTEOTECH INC | 2014-11-12 | — | — | CN | disclosed |
| US-6342504-B1 | PEPTIDES AS ANTITHROMBINS AND ANTICOAGULANTS | CORVAS INTERNATIONAL, INC. | 2002-01-29 | — | — | US | disclosed |
| WO-1997046207-A2 | AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS | CORVAS INTERNATIONAL, INC. (US) | 1997-12-11 | — | — | WO | disclosed |