Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 6/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA9 | Q16790 | 3/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | NAAA | Q02083 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 4/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL11353050 | 1.00 | ALDH1A1 (0.43) | ALDH1A1ATMTSHRHPGDCA12 | |
| SCHEMBL11361074 | 0.75 | ALDH1A1 (0.35) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL9720593 | 0.70 | ALDH1A1 (0.56) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL9720591 | 0.70 | ALDH1A1 (0.56) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL9301079 | 0.69 | — | — | |
| SCHEMBL8386803 | 0.69 | — | — | |
| SCHEMBL2560 | 0.69 | — | — | |
| SCHEMBL29116280 | 0.68 | ALDH1A1 (0.54) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL26670086 | 0.68 | ALDH1A1 (0.54) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| Acetic Acid Butyl Ester SCHEMBL28393515 | 0.68 | ALDH1A1 (0.82) | ALDH1A1ATMTSHRHPGDHCAR2 |
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-4297505-A | Process for the preparation of pentachloro-3-butenoic acid esters | CHEMISCHE WERKE HUELS, AKTIENGESELLSCHAFT (DE) | 1981-10-27 | — | — | US | disclosed |