Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.36 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17665685 | 0.91 | TDO2 (0.41) | TDO2KCNA3HCRTR1HCRTR2IDO1 | |
| SCHEMBL17665691 | 0.81 | SLC9A3 (0.43) | TDO2HCRTR1HCRTR2LMNACYP1A2 | |
| SCHEMBL17665687 | 0.81 | TDO2 (0.40) | TDO2HCRTR1HCRTR2LMNAIDO1 | |
| SCHEMBL17665475 | 0.80 | TDO2 (0.43) | TDO2CYP3A4IDO1 | |
| SCHEMBL17665686 | 0.79 | TDO2 (0.47) | TDO2IDO1ALDH1A1GPBAR1 | |
| SCHEMBL17651939 | 0.78 | TDO2 (0.46) | TDO2CYP3A4IDO1ALDH1A1ROCK2 | |
| SCHEMBL17651954 | 0.78 | TDO2 (0.46) | TDO2CYP2D6IDO1 | |
| SCHEMBL17651951 | 0.78 | TDO2 (0.46) | TDO2LMNACYP2C19IDO1KDM4E | |
| SCHEMBL17665351 | 0.77 | TDO2 (0.48) | TDO2LMNAIDO1 | |
| SCHEMBL17665348 | 0.77 | IKBKB (0.45) | TDO2IDO1MAPTROCK2ROCK1 |
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-2016051181-A1 | 4H-IMIDAZO[1,5-A]INDOLE DERIVATIVES AND THEIR USE AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) AND/OR TRYPTOPHAN 2,3-DIOXYGENASE (TD02) MODULATORS | REDX PHARMA PLC (GB) | 2016-04-07 | — | — | WO | disclosed |