Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 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 |
| ▸ | GABRA1 | P14867 | 8/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 8/20 | 0.35 |
| ▸ | CNR2 | P34972 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | PPARG | P37231 | 2/20 | 0.35 |
| ▸ | PPARD | Q03181 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8718765 | 0.76 | ALDH1A1 (0.35) | ALDH1A1SMN1; SMN2CYP3A4XDHTP53 | |
| SCHEMBL584333 | 0.74 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2CYP3A4XDHTP53 | |
| SCHEMBL8718924 | 0.74 | ALDH1A1 (0.33) | ALDH1A1SMN1; SMN2CYP3A4XDHTP53 | |
| SCHEMBL23098900 | 0.73 | MGLL (0.50) | ALDH1A1SMN1; SMN2TSHRGAAKDM4E | |
| SCHEMBL9580386 | 0.73 | SMN1; SMN2 (0.51) | ALDH1A1SMN1; SMN2CYP3A4XDHTP53 | |
| SCHEMBL9287660 | 0.73 | P4HTM (0.51) | ALDH1A1CYP3A4ALOX15TSHRMEN1 | |
| Water SCHEMBL28100235 | 0.72 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2CYP3A4XDHTP53 | |
| SCHEMBL8715745 | 0.72 | SMN1; SMN2 (0.38) | ALDH1A1SMN1; SMN2CYP3A4XDHTP53 | |
| SCHEMBL9245694 | 0.71 | NPC1 (0.65) | ALDH1A1SMN1; SMN2CYP3A4XDHTP53 | |
| SCHEMBL9287497 | 0.71 | XDH (0.40) | ALDH1A1SMN1; SMN2CYP3A4XDHTP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-5847149-A | Thiadiazole derivatives, process for their preparation, and their use as precursors for the production of liquid crystals | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-12-08 | — | — | US | disclosed |