Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.54 |
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | AGXT | P21549 | 2/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL769511 | 0.87 | IDO1 (0.59) | IDO1APPTSHRALDH1A1TP53 | |
| SCHEMBL7377840 | 0.83 | IDO1 (0.58) | IDO1APPTSHRALDH1A1TP53 | |
| SCHEMBL62037 | 0.78 | IDO1 (0.59) | IDO1APPTSHRALDH1A1TP53 | |
| SCHEMBL23961327 | 0.78 | CALM1 (0.63) | IDO1APPSMN1; SMN2AGXTLTA4H | |
| SCHEMBL1145768 | 0.76 | IDO1 (0.57) | IDO1APPTSHRALDH1A1TP53 | |
| Hydrochloric Acid SCHEMBL5797813 | 0.76 | IDO1 (0.60) | IDO1APPTSHRALDH1A1TP53 | |
| SCHEMBL6624910 | 0.76 | IDO1 (0.57) | IDO1APPTSHRALDH1A1TP53 | |
| SCHEMBL13610378 | 0.75 | BCHE (0.47) | TSHRALDH1A1CA12CA1CA2 | |
| SCHEMBL13610313 | 0.75 | APP (0.53) | IDO1APPTSHRALDH1A1TP53 | |
| SCHEMBL1145765 | 0.74 | ALDH1A1 (0.57) | IDO1APPTSHRALDH1A1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-7622507-B2 | Substituted organosulfur compounds and methods of using thereof | ACEA BIOSCIENCES INC. (US) | 2009-11-24 | — | — | US | disclosed |