Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRCP | P42785 | 6/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | DRD4 | P21917 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | MMP14 | P50281 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | TEAD1 | P28347 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL22169574 | 0.82 | ALDH1A1 (0.39) | ALDH1A1KCNH2DRD4DRD2 | |
| SCHEMBL21233704 | 0.81 | TRPV6 (0.43) | ALDH1A1KCNH2 | |
| SCHEMBL19631727 | 0.80 | PRCP (0.49) | PRCPALDH1A1TSHRKCNH2DRD4 | |
| SCHEMBL22169566 | 0.76 | DRD4 (0.53) | ALDH1A1DRD4LMNADRD2 | |
| SCHEMBL624525 | 0.75 | NR1I2 (0.72) | PRCPNR1I2MMP1MMP2MMP3 | |
| SCHEMBL21233604 | 0.75 | CHRM2 (0.41) | ALDH1A1CHRM4DRD2 | |
| SCHEMBL19631833 | 0.74 | SIGMAR1 (0.41) | ALDH1A1KCNH2 | |
| SCHEMBL19631873 | 0.73 | SIGMAR1 (0.40) | ALDH1A1KCNH2DRD4LMNAACHE | |
| SCHEMBL22169548 | 0.71 | SIGMAR1 (0.40) | ALDH1A1TSHRKCNH2LMNA | |
| SCHEMBL648176 | 0.70 | PRCP (0.49) | PRCPALDH1A1TSHRKCNH2LMNA |
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-2017198339-A1 | TETRAHYDROPYRAN AND THIOPYRAN DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2017-11-23 | — | — | WO | disclosed |