Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.41 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9829524 | 0.95 | ALDH1A1 (0.43) | ALDH1A1CYP3A4TSHRNR1H2NR1H3 | |
| SCHEMBL3385658 | 0.85 | ALDH1A1 (0.59) | ALDH1A1CYP3A4TSHRSIGMAR1S1PR1 | |
| SCHEMBL11793929 | 0.84 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TSHRNR1H2NR1H3 | |
| SCHEMBL9446165 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CYP3A4TSHRSIGMAR1S1PR1 | |
| SCHEMBL11000207 | 0.82 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TSHRNR1H2NR1H3 | |
| SCHEMBL8150219 | 0.81 | KDM4E (0.43) | ALDH1A1CYP3A4TSHROPRM1DRD3 | |
| SCHEMBL8391459 | 0.81 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TSHR | |
| SCHEMBL16618153 | 0.79 | CYP3A4 (0.44) | ALDH1A1CYP3A4TSHRNR1H2NR1H3 | |
| SCHEMBL4663824 | 0.79 | S1PR1 (0.48) | ALDH1A1CYP3A4NR1H2NR1H3GRIN2D | |
| SCHEMBL4665704 | 0.79 | NR1H2 (0.41) | ALDH1A1CYP3A4NR1H2NR1H3GRIN2D |
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-1622880-B3 | SUBSTITUTED DIHYDROCHINAZOLINES HAVING ANTIVIRAL PROPERTIES | AICURIS ANTI INFECTIVE CURES GMBH (DE) | 2018-05-23 | — | — | EP | disclosed |