Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 7/20 | 0.52 |
| ▸ | CES2 | O00748 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | GSK3B | P49841 | 2/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL1874832 | 0.81 | CES1 (0.56) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL1433235 | 0.81 | CES1 (0.56) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL11183801 | 0.78 | CES1 (0.58) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL132067 | 0.78 | CES1 (0.58) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL1799477 | 0.78 | CES1 (0.64) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL11308508 | 0.77 | CES1 (0.52) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL10456503 | 0.77 | CES1 (0.52) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL9419966 | 0.77 | CES1 (0.64) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL8445440 | 0.76 | CES1 (0.56) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL1743416 | 0.76 | CES1 (0.70) | CES1CES2ALDH1A1TSHRDAO |
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 |