Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 8/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.43 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.40 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.40 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | GGT1 | P19440 | 1/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2778 | 0.89 | TSHR (0.52) | TSHRITGB1ITGA5ALDH1A1LMNA | |
| SCHEMBL30084385 | 0.89 | TSHR (0.52) | TSHRITGB1ITGA5ALDH1A1LMNA | |
| SCHEMBL1896602 | 0.87 | TSHR (0.50) | TSHRITGB1ITGA5ALDH1A1LMNA | |
| Acetone SCHEMBL29281281 | 0.87 | TSHR (0.50) | TSHRITGB1ITGA5ALDH1A1LMNA | |
| SCHEMBL6383298 | 0.87 | TSHR (0.50) | TSHRITGB1ITGA5ALDH1A1LMNA | |
| Acetic Acid SCHEMBL28536661 | 0.85 | TSHR (0.48) | TSHRITGB1ITGA5ALDH1A1LMNA | |
| SCHEMBL29291575 | 0.84 | ALDH1A1 (0.56) | TSHRALDH1A1LMNAKDM4EHSD17B10 | |
| SCHEMBL5006514 | 0.83 | TSHR (0.47) | TSHRITGB1ITGA5ALDH1A1LMNA | |
| SCHEMBL154741 | 0.82 | ALDH1A1 (0.58) | TSHRITGB1ITGA5ALDH1A1LMNA | |
| Phosphoric Acid SCHEMBL28487093 | 0.82 | TSHR (0.46) | TSHRITGB1ITGA5ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017049383-A1 | LIBRARIES OF HETEROARYL-CONTAINING MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | CYCLENIUM PHARMA INC. (CA) | 2017-03-30 | — | — | WO | disclosed |