Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GJB2 | P29033 | 1/20 | 0.38 |
| ▸ | GJA1 | P17302 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | AGXT | P21549 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.31 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.31 |
| ▸ | REN | P00797 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL21387868 | 0.84 | CA1 (0.39) | GJB2GJA1IDO1AGXTTHRB | |
| SCHEMBL21387928 | 0.84 | CA1 (0.39) | GJB2GJA1IDO1AGXTTHRB | |
| SCHEMBL17472164 | 0.82 | — | — | |
| SCHEMBL15032442 | 0.73 | NAAA (0.38) | IDO1AGXTTHRBNAAAREN | |
| SCHEMBL17472212 | 0.72 | CYP2D6 (0.34) | CYP2C19 | |
| SCHEMBL22639406 | 0.72 | THRB (0.35) | IDO1AGXTTHRBTACR1NAAA | |
| SCHEMBL29773823 | 0.70 | NAAA (0.44) | IDO1AGXTTHRBNAAAKDM4E | |
| SCHEMBL16155041 | 0.69 | IDO1 (0.36) | IDO1AGXTTHRBTACR1NAAA | |
| SCHEMBL24894254 | 0.69 | KDM4E (0.32) | IDO1AGXTTHRBRENKDM4E | |
| SCHEMBL14363012 | 0.69 | SLC6A2 (0.43) | GJB2GJA1THRBTACR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3142672-B1 | AMPHOTERICIN B DERIVATIVE WITH REDUCED TOXICITY | UNIV ILLINOIS (US) | 2019-09-25 | — | — | EP | disclosed |