Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TGM2 | P21980 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | THRA | P10827 | 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 | |
|---|---|---|---|---|
| SCHEMBL10483621 | 0.80 | ALDH1A1 (0.55) | ALDH1A1CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL28411114 | 0.79 | ALDH1A1 (0.42) | ALDH1A1CYP2C19CYP3A4CYP2C9ACACB | |
| Hydrochloric Acid SCHEMBL7054531 | 0.78 | ALDH1A1 (0.41) | ALDH1A1CYP2C19CYP3A4CYP2C9ACACB | |
| SCHEMBL28417957 | 0.78 | ALDH1A1 (0.38) | ALDH1A1CYP2C19CYP3A4CYP2C9ACACB | |
| SCHEMBL24066843 | 0.77 | RIPK1 (0.42) | ALDH1A1CYP2C19CYP3A4CYP2C9TSHR | |
| SCHEMBL8284300 | 0.73 | CYP3A4 (0.39) | ALDH1A1CYP3A4TSHRHTTMAPT | |
| Trifluoromethanesulfonic Acid SCHEMBL16108734 | 0.72 | CYP2C9 (0.36) | ALDH1A1CYP2C19CYP3A4CYP2C9ACACB | |
| SCHEMBL28030413 | 0.72 | TSHR (0.52) | ALDH1A1CYP2C19CYP3A4CYP2C9ACACB | |
| SCHEMBL8741982 | 0.72 | MME (0.44) | ALDH1A1CYP2C19CYP3A4CYP2C9TGM2 | |
| SCHEMBL17183807 | 0.71 | TACR3 (0.46) | ALDH1A1CYP2C19CYP3A4CYP2C9TSHR |
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-0705251-A1 | IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS | Knoll AG (DE) | 1996-04-10 | — | — | EP | disclosed |