Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | HTR2C | P28335 | 4/20 | 0.58 |
| ▸ | HTR7 | P34969 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | CASP1 | P29466 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 3/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.58 |
| ▸ | HTR6 | P50406 | 3/20 | 0.58 |
| ▸ | GLA | P06280 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | CASP7 | P55210 | 2/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | HTR2A | P28223 | 2/20 | 0.58 |
| ▸ | RECQL | P46063 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Cgs-19281A SCHEMBL29769895 | 1.00 | KDM4E (0.58) | KDM4ECYP3A4CYP2D6ALDH1A1HTR2C | |
| SCHEMBL30921653 | 0.89 | KDM4E (0.58) | KDM4ECYP3A4CYP2D6ALDH1A1HTR2C | |
| SCHEMBL28631444 | 0.89 | KDM4E (0.58) | KDM4ECYP3A4CYP2D6ALDH1A1HTR2C | |
| Harmaline SCHEMBL9481244 | 0.88 | KDM4E (0.80) | KDM4ECYP3A4CYP2D6ALDH1A1HTR2C | |
| SCHEMBL1655707 | 0.81 | KDM4E (0.52) | KDM4ECYP3A4CYP2D6ALDH1A1HTR2C | |
| SCHEMBL678673 | 0.73 | HTR2C (0.54) | KDM4EALDH1A1HTR2CHTR7MEN1 | |
| Harmaline SCHEMBL29626541 | 0.73 | KDM4E (1.00) | KDM4ECYP3A4CYP2D6ALDH1A1HTR2C | |
| Harmaline SCHEMBL199260 | 0.73 | KDM4E (1.00) | KDM4ECYP3A4CYP2D6ALDH1A1HTR2C | |
| SCHEMBL1520427 | 0.72 | KDM4E (0.74) | KDM4ECYP3A4CYP2D6ALDH1A1HTR2C | |
| Harmaline SCHEMBL1360259 | 0.72 | KDM4E (0.97) | KDM4ECYP3A4CYP2D6ALDH1A1HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| CN-107141288-B | Evodiamine compounds and preparation method and application thereof | 中山大学 | 2019-12-27 | — | — | CN | disclosed |
| EP-2227233-A2 | IDO INHIBITORS | Newlink Genetics (US) | 2010-09-15 | — | — | EP | disclosed |
| WO-2009073620-A2 | IDO INHIBITORS | NEWLINK GENETICS (US) | 2009-06-11 | — | — | WO | disclosed |