Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.46 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.46 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.44 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.40 |
| ▸ | ABAT | P80404 | 1/20 | 0.40 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5252402 | 0.84 | TSHR (0.45) | TXNRD1TXNRD3TXNRD2TSHRGPR35 | |
| SCHEMBL16838198 | 0.84 | GPR35 (0.52) | TSHRGPR35ALDH5A1ABATERN1 | |
| SCHEMBL16838217 | 0.84 | GPR35 (0.52) | TXNRD1TXNRD3TXNRD2TSHRGPR35 | |
| SCHEMBL5583401 | 0.84 | VCAM1 (0.51) | TXNRD1TXNRD3TXNRD2TSHRVCAM1 | |
| SCHEMBL10645648 | 0.81 | ALDH1A1 (0.51) | TDP1CYP3A4MEN1KMT2A | |
| SCHEMBL3302919 | 0.78 | TSHR (0.56) | TXNRD1TXNRD3TXNRD2TSHRGPR35 | |
| SCHEMBL272154 | 0.77 | ERN1 (0.57) | TSHRGPR35ALDH5A1ABATERN1 | |
| SCHEMBL16838211 | 0.77 | ERN1 (0.56) | TSHRGPR35ALDH5A1ABATERN1 | |
| SCHEMBL4361452 | 0.77 | ERN1 (0.47) | TXNRD1TXNRD3TXNRD2TSHRGPR35 | |
| SCHEMBL3035803 | 0.74 | ALDH5A1 (0.53) | TSHRGPR35ALDH5A1ABATERN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1390336-A1 | METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS | DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) | 2004-02-25 | — | — | EP | claimed |
| WO-2002096849-A1 | METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS | DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) | 2002-12-05 | — | — | WO | claimed |
| EP-1390336-A1 | METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS | DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) | 2004-02-25 | — | — | EP | disclosed |
| WO-2002096849-A1 | METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS | DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) | 2002-12-05 | — | — | WO | disclosed |