Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.96 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.96 |
| ▸ | TSHR | P16473 | 5/20 | 0.67 |
| ▸ | LMNA | P02545 | 3/20 | 0.67 |
| ▸ | ACHE | P22303 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL249999 | 0.98 | ALDH1A1 (1.00) | ALDH1A1TDP1TSHRLMNAACHE | |
| Ammonia Solution, Strong SCHEMBL27619132 | 0.96 | ALDH1A1 (0.96) | ALDH1A1TDP1TSHRLMNAACHE | |
| Hydrogen Sulfide SCHEMBL28261652 | 0.96 | ALDH1A1 (0.96) | ALDH1A1TDP1TSHRLMNAACHE | |
| Hydrochloric Acid SCHEMBL31522363 | 0.96 | ALDH1A1 (0.96) | ALDH1A1TDP1TSHRLMNAACHE | |
| Dinitrophenylene SCHEMBL27804554 | 0.96 | ALDH1A1 (0.88) | ALDH1A1TDP1TSHRLMNAACHE | |
| Hydrochloric Acid SCHEMBL28308368 | 0.94 | ALDH1A1 (0.92) | ALDH1A1TDP1TSHRLMNAACHE | |
| Formaldehyde SCHEMBL28346696 | 0.94 | ALDH1A1 (0.92) | ALDH1A1TDP1TSHRLMNAACHE | |
| Methylamine SCHEMBL11819382 | 0.92 | ALDH1A1 (0.88) | ALDH1A1TDP1TSHRLMNAACHE | |
| SCHEMBL11603013 | 0.92 | ALDH1A1 (0.88) | ALDH1A1TDP1TSHRLMNAACHE | |
| Nitrobenzene SCHEMBL11647692 | 0.92 | ALDH1A1 (0.88) | ALDH1A1TDP1TSHRLMNAACHE |
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-4306103-A | Process for the manufacture of 1,3,5-trichlorobenzene | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-12-15 | — | — | US | disclosed |