Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | PPARG | P37231 | 2/20 | 0.32 |
| ▸ | NR2E3 | Q9Y5X4 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4409031 | 0.84 | LMNA (0.39) | TSHRTDP1ALDH1A1KMT2ALMNA | |
| SCHEMBL30510726 | 0.72 | TSHR (0.50) | TSHRSIRT2GLAALDH1A1KMT2A | |
| SCHEMBL27324055 | 0.70 | TSHR (0.43) | TSHRTDP1ALDH1A1KMT2AMAPT | |
| SCHEMBL10614279 | 0.69 | TSHR (0.46) | TSHRTDP1SIRT2ALDH1A1KMT2A | |
| SCHEMBL9665578 | 0.69 | — | — | |
| SCHEMBL17407789 | 0.69 | — | — | |
| SCHEMBL11763977 | 0.68 | NPC1 (0.54) | TSHRTDP1ALDH1A1KMT2ALMNA | |
| SCHEMBL9014001 | 0.68 | TLR4 (0.45) | TSHRTDP1ALDH1A1LMNAPTGER2 | |
| SCHEMBL30598229 | 0.68 | — | — | |
| SCHEMBL30598233 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3645516-A1 | HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS | Janssen Pharmaceutica NV (BE) | 2020-05-06 | — | — | EP | disclosed |
| CN-110809574-A | Heteroaryl dihydropyrimidine derivatives and methods for treating hepatitis b infection | 詹森药业有限公司 | 2020-02-18 | — | — | CN | disclosed |
| WO-2019001420-A1 | HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS | JANSSEN PHARMACEUTICA NV (BE) | 2019-01-03 | — | — | WO | disclosed |