Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.55 |
| ▸ | AGXT | P21549 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22468781 | 1.00 | IDO1 (0.55) | IDO1AGXTCA1CA2APP | |
| SCHEMBL22468782 | 1.00 | IDO1 (0.55) | IDO1AGXTCA1CA2APP | |
| SCHEMBL5795851 | 0.90 | IDO1 (0.61) | IDO1AGXTCA1CA2APP | |
| SCHEMBL8075893 | 0.90 | IDO1 (0.61) | IDO1AGXTCA1CA2APP | |
| SCHEMBL5795848 | 0.90 | IDO1 (0.61) | IDO1AGXTCA1CA2APP | |
| SCHEMBL29302281 | 0.84 | IDO1 (0.53) | IDO1AGXTCA1CA2APP | |
| SCHEMBL1030381 | 0.82 | IDO1 (0.52) | IDO1AGXTCA1CA2APP | |
| SCHEMBL21835990 | 0.82 | IDO1 (0.52) | IDO1AGXTCA1CA2ALDH1A1 | |
| SCHEMBL1030380 | 0.82 | IDO1 (0.52) | IDO1AGXTCA1CA2APP | |
| SCHEMBL21835991 | 0.82 | IDO1 (0.52) | IDO1AGXTCA1CA2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020198464-A1 | HIGHLY SELECTIVE ELECTROCHEMICAL HYDROGENATION OF ALKYNES | THE TRUSTEES OF INDIANA UNIVERSITY (US) | 2020-10-01 | — | — | WO | disclosed |