Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | CES2 | O00748 | 2/20 | 0.32 |
| ▸ | DAO | P14920 | 1/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | ABCC9 | O60706 | 2/20 | 0.30 |
| ▸ | ABCC8 | Q09428 | 2/20 | 0.30 |
| ▸ | KCNJ11 | Q14654 | 2/20 | 0.30 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.30 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.30 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.30 |
| ▸ | KCNJ8 | Q15842 | 2/20 | 0.30 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8461140 | 0.84 | CES1 (0.50) | CES1ALDH1A1TSHRCES2DAO | |
| SCHEMBL23698003 | 0.75 | CES1 (0.50) | CES1ALDH1A1TSHRCES2DAO | |
| SCHEMBL9056053 | 0.75 | CES1 (0.50) | CES1ALDH1A1TSHRCES2DAO | |
| SCHEMBL28449348 | 0.73 | CES1 (0.48) | CES1ALDH1A1TSHRCES2DAO | |
| SCHEMBL28271260 | 0.71 | CES1 (0.46) | CES1ALDH1A1TSHRCES2DAO | |
| SCHEMBL4783569 | 0.70 | CES1 (0.56) | CES1ALDH1A1TSHRCES2DAO | |
| SCHEMBL10528373 | 0.68 | CES1 (0.67) | CES1ALDH1A1TSHRCES2DAO | |
| SCHEMBL8634365 | 0.68 | CES1 (0.54) | CES1ALDH1A1TSHRCES2DAO | |
| SCHEMBL10483990 | 0.67 | ESR1 (0.56) | CES1CES2RAB9AESR1LMNA | |
| SCHEMBL10484153 | 0.67 | ESR1 (0.56) | CES1CES2RAB9AESR1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6689923-B2 | STARTING MATERIAL FOR PRODUCING A PERFLUOROALKYL RADICAL | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 2004-02-10 | — | — | US | disclosed |
| US-20030171628-A1 | Perfluoroolefin-hydrocarbon hybrid compound, method of producing the same and method of producing perfluoroalkyl radical | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY | 2003-09-11 | — | — | US | disclosed |