Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.40 |
| ▸ | FEN1 | P39748 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | RORC | P51449 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20973133 | 0.76 | CES2 (0.46) | POLBCES2CES1HPGDCYP1A2 | |
| SCHEMBL29473429 | 0.74 | POLB (0.50) | POLBCES2CES1HPGDCYP1A2 | |
| SCHEMBL28241287 | 0.74 | CES2 (0.48) | POLBCES2CES1HPGDCYP1A2 | |
| SCHEMBL8444340 | 0.72 | CES2 (0.46) | POLBCES2CES1HPGDCYP1A2 | |
| SCHEMBL9252328 | 0.71 | CES2 (0.45) | POLBCES2CES1HPGDCYP1A2 | |
| SCHEMBL14385103 | 0.69 | SMN1; SMN2 (0.45) | POLBCES2CES1HPGDCYP1A2 | |
| SCHEMBL17868852 | 0.69 | HPGD (0.50) | POLBCES2CES1HPGDCYP1A2 | |
| SCHEMBL1923885 | 0.69 | ERCC5 (0.59) | POLBCES2CES1HPGDCYP1A2 | |
| SCHEMBL29477191 | 0.68 | CES1 (0.58) | POLBCES2CES1HPGDCYP1A2 | |
| SCHEMBL1471234 | 0.68 | CES1 (0.58) | POLBCES2CES1HPGDCYP1A2 |
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-2017021879-A1 | NOVEL COMPOUNDS AS ROR GAMMA MODULATORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2017-02-09 | — | — | WO | disclosed |