Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.50 |
| ▸ | CES2 | O00748 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27552924 | 0.81 | CES1 (0.52) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL1728427 | 0.79 | CES1 (0.50) | CES1CES2ALDH1A1TSHRDAO | |
| Hydrochloric Acid SCHEMBL27590007 | 0.77 | CES1 (0.48) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL28016640 | 0.77 | CES1 (0.48) | CES1CES2ALDH1A1TSHRDAO | |
| Fluoride SCHEMBL28016642 | 0.77 | CES1 (0.48) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL4031038 | 0.77 | CES1 (0.48) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL1019800 | 0.77 | TSHR (0.50) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL474271 | 0.77 | CES1 (0.48) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL28136722 | 0.77 | CES1 (0.48) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL4846247 | 0.77 | CES1 (0.48) | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1480953-A1 | PROCESS FOR PREPARING ARIPIPRAZOLE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2004-12-01 | — | — | EP | disclosed |
| WO-2004063162-A1 | PROCESS FOR PREPARING ARIPIPRAZOLE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2004-07-29 | — | — | WO | disclosed |
| US-4530923-A | N-acetamilide, N-(phenoxy-2-propanol)- and N-(phenylamino-2-propanol)-cyclicamines | EGYT GYOGYSZERVEGYESZETI GYAR (HU) | 1985-07-23 | — | — | US | disclosed |
| US-4105763-A | 1-Methyl-2-(phenyl-oxymethyl)-5-nitro-imidazoles | HOECHST AKTIENGESELLSCHAFT (DE) | 1978-08-08 | — | — | US | disclosed |