Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ADH1B | P00325 | 1/20 | 0.38 |
| ▸ | ADH1C | P00326 | 1/20 | 0.38 |
| ▸ | ADH1A | P07327 | 1/20 | 0.38 |
| ▸ | ADH7 | P40394 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8409983 | 0.84 | FKBP1A (0.37) | ALDH1A1ADH1BADH1CADH1AADH7 | |
| SCHEMBL8059353 | 0.83 | ADRB2 (0.50) | ALDH1A1ADRB2HTTADH1BADH1C | |
| SCHEMBL8070720 | 0.81 | ADRB2 (0.48) | ALDH1A1ADRB2HTTADH1BADH1C | |
| SCHEMBL28742422 | 0.78 | ATM (0.42) | ALDH1A1ADRB2HTTKMT2AMEN1 | |
| SCHEMBL5071627 | 0.75 | CYP1A2 (0.37) | ALDH1A1KMT2AMEN1TAAR1 | |
| SCHEMBL18114513 | 0.68 | OPRM1 (0.42) | ALDH1A1SIGMAR1 | |
| SCHEMBL367356 | 0.68 | DPP4 (0.57) | KMT2AMEN1CYP3A4CYP2C19TAAR1 | |
| SCHEMBL17493640 | 0.68 | OPRM1 (0.58) | KMT2AMEN1SIGMAR1 | |
| SCHEMBL21058274 | 0.68 | MAOA (0.50) | SIGMAR1TAAR1 | |
| SCHEMBL4989701 | 0.68 | OPRM1 (0.58) | KMT2AMEN1SIGMAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5962469-A | PREVENTION OF OXIDATION TISSUE DAMAGE BY FREE RADICALS | HOECHST MARION ROUSSEL INC. (US) | 1999-10-05 | — | — | US | disclosed |
| EP-0863878-A1 | CYCLIC NITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | HOECHST MARION ROUSSEL, INC. (US) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997010218-A1 | CYCLIC NITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | HOECHST MARION ROUSSEL, INC. (US) | 1997-03-20 | — | — | WO | disclosed |