Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.32 |
| ▸ | PPARD | Q03181 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10869428 | 0.82 | — | — | |
| SCHEMBL10942155 | 0.82 | APAF1 (0.39) | ALDH1A1CYP3A4TP53MAPTKDM4E | |
| SCHEMBL13216777 | 0.81 | ALDH1A1 (0.41) | ALDH1A1CYP3A4TP53ALOX15TSHR | |
| SCHEMBL11498901 | 0.79 | — | — | |
| SCHEMBL9162680 | 0.79 | ALDH1A1 (0.35) | ALDH1A1MAPTNPSR1 | |
| SCHEMBL9358791 | 0.78 | TBXA2R (0.38) | — | |
| SCHEMBL9512021 | 0.78 | TBXA2R (0.38) | — | |
| SCHEMBL9362547 | 0.77 | ALDH1A1 (0.37) | ALDH1A1TP53TSHRSMN1; SMN2HPGD | |
| SCHEMBL11049067 | 0.76 | NPC1 (0.34) | SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11050519 | 0.76 | ALDH1A1 (0.36) | ALDH1A1TP53TSHRSMN1; SMN2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| JP-57085882-A | — | — | None | — | — | JP | disclosed |
| US-4424372-A | LIQUID CRYSTALS | TIMEX CORPORATION (US) | 1984-01-03 | — | — | US | disclosed |
| JP-S5785882-A | NEMATIC LIQUID CRYSTAL COMPOSITION | HITACHI LTD | 1982-05-28 | — | — | JP | disclosed |