Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 8/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.51 |
| ▸ | TDO2 | P48775 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KLK7 | P49862 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17737122 | 1.00 | IDO1 (0.51) | IDO1CYP2C9CYP3A4CYP2C8TDO2 | |
| SCHEMBL20838723 | 1.00 | IDO1 (0.51) | IDO1CYP2C9CYP3A4CYP2C8TDO2 | |
| SCHEMBL20852663 | 1.00 | IDO1 (0.51) | IDO1CYP2C9CYP3A4CYP2C8TDO2 | |
| SCHEMBL20838737 | 0.87 | IDO1 (0.58) | IDO1CYP2C9CYP3A4CYP2C8TDO2 | |
| SCHEMBL17737066 | 0.87 | IDO1 (0.58) | IDO1CYP2C9CYP3A4CYP2C8TDO2 | |
| SCHEMBL17737538 | 0.87 | IDO1 (0.58) | IDO1CYP2C9CYP3A4CYP2C8TDO2 | |
| SCHEMBL20838632 | 0.85 | KLK7 (0.53) | IDO1CYP2C9CYP3A4CYP2C8TDO2 | |
| SCHEMBL17737340 | 0.85 | KLK7 (0.53) | IDO1CYP2C9CYP3A4CYP2C8TDO2 | |
| SCHEMBL20852665 | 0.85 | KLK7 (0.53) | IDO1CYP2C9CYP3A4CYP2C8TDO2 | |
| SCHEMBL20838700 | 0.84 | GRIA1 (0.46) | IDO1EPHX2ALDH1A1 |
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-2016073738-A2 | IMMUNOREGULATORY AGENTS | FLEXUS BIOSCIENCES, INC. (US) | 2016-05-12 | — | — | WO | disclosed |