Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.64 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | MLYCD | O95822 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1743416 | 0.81 | CES1 (0.70) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL29035921 | 0.81 | CES1 (0.70) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL7907262 | 0.78 | CES1 (0.73) | CES1CES2TSHRALDH1A1DAO | |
| Benzene SCHEMBL27672585 | 0.78 | CES1 (1.00) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL33083 | 0.78 | CES1 (1.00) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL1799477 | 0.78 | CES1 (0.64) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL9420043 | 0.77 | CES1 (0.52) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL27972618 | 0.77 | CES1 (0.64) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL29393401 | 0.76 | CES1 (0.95) | CES1CES2TSHRALDH1A1DAO | |
| SCHEMBL31083855 | 0.76 | CES1 (0.95) | CES1CES2TSHRALDH1A1DAO |
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-5306789-A | Polyethers, polyphthalazines, polyisoquinolines | HAY ALLAN S (CA) | 1994-04-26 | — | — | US | disclosed |