Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TPMT | P51580 | 1/20 | 0.36 |
| ▸ | PGK1 | P00558 | 2/20 | 0.36 |
| ▸ | PGK2 | P07205 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | CCR6 | P51684 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1203845 | 0.97 | TSHR (0.46) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL31212644 | 0.83 | LMNA (0.47) | TSHRALDH1A1HPGDLMNAACHE | |
| SCHEMBL28136531 | 0.83 | LMNA (0.47) | TSHRALDH1A1HPGDLMNAACHE | |
| SCHEMBL457995 | 0.79 | ALDH1A1 (0.46) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL14020783 | 0.78 | LMNA (0.47) | TSHRALDH1A1HPGDLMNAACHE | |
| SCHEMBL15147577 | 0.77 | TSHR (0.44) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL7594495 | 0.74 | TSHR (0.42) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL29080970 | 0.74 | TSHR (0.42) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL28674980 | 0.74 | TSHR (0.42) | TSHRALDH1A1CYP3A4MAPK1TDP1 | |
| SCHEMBL3353801 | 0.74 | PGK1 (0.44) | TSHRALDH1A1CYP3A4MAPK1TDP1 |
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-1458731-A1 | CHIRAL LIGANDS FOR ASYMMETRIC CATALYSIS | Chirotech Technology Limited (GB) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003048173-A1 | CHIRAL LIGANDS FOR ASYMMETRIC CATALYSIS | CHIROTECH TECHNOLOGY LIMITED (GB) | 2003-06-12 | — | — | WO | disclosed |