Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10667959 | 0.89 | GAA (0.50) | ALDH1A1TSHRLMNATDP1HPGD | |
| SCHEMBL10667210 | 0.89 | GAA (0.47) | ALDH1A1TSHRLMNATDP1HPGD | |
| Hydrochloric Acid SCHEMBL10667219 | 0.88 | GAA (0.49) | ALDH1A1TSHRLMNATDP1HPGD | |
| SCHEMBL10669971 | 0.84 | ALDH1A1 (0.55) | ALDH1A1TSHRLMNATDP1HPGD | |
| SCHEMBL10662392 | 0.83 | GAA (0.50) | ALDH1A1TSHRLMNATDP1MAP3K14 | |
| SCHEMBL9857974 | 0.82 | LMNA (0.49) | ALDH1A1TSHRLMNATDP1MAP3K14 | |
| SCHEMBL9478376 | 0.82 | NPC1 (0.56) | ALDH1A1TSHRLMNATDP1MAP3K14 | |
| SCHEMBL11117131 | 0.80 | ALDH1A1 (0.48) | ALDH1A1TSHRLMNATDP1HPGD | |
| SCHEMBL11115154 | 0.80 | GAA (0.46) | ALDH1A1TSHRLMNATDP1HPGD | |
| SCHEMBL10668007 | 0.80 | LMNA (0.45) | ALDH1A1TSHRLMNATDP1MAP3K14 |
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-0114347-A2 | Aralkyl-triazole compounds | CIBA-GEIGY AG (CH) | 1984-08-01 | — | — | EP | claimed |
| US-4789680-A | Aralkyltriazole compounds | CIBA-GEIGY CORPORATION (US) | 1988-12-06 | — | — | US | disclosed |
| EP-0114347-A2 | Aralkyl-triazole compounds | CIBA-GEIGY AG (CH) | 1984-08-01 | — | — | EP | disclosed |