Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | USP2 | O75604 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 0.34 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13066988 | 1.00 | TSHR (0.39) | TSHRMAPTABCC4ALDH1A1USP2 | |
| SCHEMBL10139577 | 0.98 | TSHR (0.36) | TSHRMAPTABCC4ALDH1A1USP2 | |
| SCHEMBL20980423 | 0.82 | TSHR (0.42) | TSHR | |
| SCHEMBL11778128 | 0.81 | TSHR (0.31) | TSHRSMN1; SMN2 | |
| SCHEMBL23234380 | 0.77 | TSHR (0.46) | TSHRMAPTABCC4ALDH1A1USP2 | |
| SCHEMBL4228975 | 0.77 | TSHR (0.46) | TSHRMAPTABCC4ALDH1A1USP2 | |
| SCHEMBL7610315 | 0.77 | TSHR (0.46) | TSHRMAPTABCC4ALDH1A1USP2 | |
| SCHEMBL462178 | 0.77 | TSHR (0.46) | TSHRMAPTABCC4ALDH1A1USP2 | |
| SCHEMBL6926014 | 0.75 | GSR (0.43) | TSHRLMNA | |
| SCHEMBL13977639 | 0.75 | GSR (0.43) | TSHRLMNA |
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-2012021875-A1 | PEPTIDOMIMETIC MACROCYCLES WITH TRIAZOLE LINKERS | AILERON THERAPEUTICS, INC. (US) | 2012-02-16 | — | — | WO | disclosed |