Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | POLQ | O75417 | 3/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | TGM2 | P21980 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15133743 | 0.83 | ESR1 (0.44) | CYP3A4CYP2D6ESR1ESR2CES2 | |
| SCHEMBL20751779 | 0.81 | PDE2A (0.38) | CYP3A4CYP2D6CES2IDO1DAO | |
| SCHEMBL9797321 | 0.81 | CES2 (0.37) | CYP3A4CYP2D6CES2IDO1DAO | |
| SCHEMBL18682072 | 0.78 | ESR1 (0.40) | CYP3A4CYP2D6ESR1ESR2CES2 | |
| SCHEMBL3683402 | 0.78 | POLB (0.38) | CYP3A4CYP2D6CES2IDO1DCTPP1 | |
| SCHEMBL16950844 | 0.77 | PDE2A (0.39) | ESR1ESR2CES2IDO1DAO | |
| SCHEMBL18587153 | 0.77 | IDO1 (0.37) | CYP3A4CYP2D6CES2IDO1DCTPP1 | |
| SCHEMBL18586382 | 0.77 | IDO1 (0.40) | CYP3A4CYP2D6IDO1GABRA1GABRB2 | |
| SCHEMBL1986356 | 0.77 | GABRA1 (0.46) | CES2IDO1GABRA1GABRB2 | |
| SCHEMBL3678271 | 0.77 | IDO1 (0.37) | CYP3A4CYP2D6CES2IDO1PDE2A |
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-3297438-B1 | CCR2 MODULATORS | CHEMOCENTRYX INC (US) | 2021-10-20 | — | — | EP | disclosed |