Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | PGK1 | P00558 | 1/20 | 0.33 |
| ▸ | PGK2 | P07205 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.32 |
| ▸ | CDK9 | P50750 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | ACP3 | P15309 | 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 | |
|---|---|---|---|---|
| SCHEMBL27749823 | 0.80 | TRPA1 (0.40) | CYP3A4ALDH1A1 | |
| SCHEMBL27770581 | 0.79 | PTPRC (0.48) | TSHRCCNT1CDK9ALDH1A1 | |
| SCHEMBL642678 | 0.74 | TSHR (0.45) | TSHRMAPK1CYP3A4TP53PTGS1 | |
| SCHEMBL10128394 | 0.73 | TSHR (0.44) | TSHRMAPK1CYP3A4TP53PTGS1 | |
| SCHEMBL10714404 | 0.72 | TSHR (0.74) | TSHRMAPK1CYP3A4PTGS1KDM4E | |
| SCHEMBL642679 | 0.71 | TSHR (0.39) | TSHRMAPK1TP53PTGS1KDM4E | |
| SCHEMBL642867 | 0.71 | TSHR (0.47) | TSHRMAPK1CYP3A4TP53PTGS1 | |
| SCHEMBL7586287 | 0.69 | TSHR (0.63) | TSHRMAPK1CYP3A4PTGS1PGK1 | |
| SCHEMBL27770580 | 0.69 | ALDH1A1 (0.43) | TSHRMAPK1CYP3A4KDM4EALDH1A1 | |
| SCHEMBL3843446 | 0.69 | TSHR (0.68) | TSHRMAPK1CYP3A4PTGS1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-101501051-A | Amides as sphingomyeline inhibitors | NOVARTIS AG (CH) | 2009-08-05 | — | — | CN | disclosed |