Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.58 |
| ▸ | CES1 | P23141 | 2/20 | 0.55 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.51 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.51 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.51 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.51 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | PPARG | P37231 | 1/20 | 0.50 |
| ▸ | PPARA | Q07869 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.49 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.49 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.49 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4305804 | 0.92 | PIK3CA (0.56) | CNR2CES1PIK3CAHDAC1HDAC8 | |
| SCHEMBL30235602 | 0.84 | MEN1 (0.66) | CES1SIGMAR1HDAC1HDAC8PPARG | |
| SCHEMBL10900761 | 0.84 | MEN1 (0.66) | CES1SIGMAR1HDAC1HDAC8PPARG | |
| Trifluoromethylbenzene SCHEMBL27770931 | 0.82 | AKR1B1 (0.68) | CNR2CES1PPARGPPARAPSEN1 | |
| SCHEMBL267205 | 0.82 | RXRA (0.68) | CNR2CES1PIK3CAHDAC1HDAC8 | |
| SCHEMBL1040696 | 0.81 | PIK3CA (0.55) | CNR2CES1PIK3CAHDAC1HDAC8 | |
| SCHEMBL1515765 | 0.81 | MAPT (0.61) | CNR2CES1SIGMAR1PIK3CAPTPN1 | |
| SCHEMBL77563 | 0.81 | CES1 (0.70) | CES1HDAC8EPHX2CES2AKR1B1 | |
| SCHEMBL17634087 | 0.81 | GSK3B (0.56) | CNR2CES1PIK3CAHDAC1HDAC8 | |
| SCHEMBL26384373 | 0.81 | TAAR1 (0.52) | CNR2CES1PIK3CAHDAC1HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1748982-A1 | (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME LTD. (GB) | 2007-02-07 | — | — | EP | disclosed |
| WO-2005108362-A1 | (4, 5, 6, 7-TETRAHYDRO-1-H-INDOL-7-YL) ACETIC ACID DERIVATIVES FOR TREATMENT OF ALZHEIMER'S DISEASE | MERCK SHARP & DOHME LIMITED (GB) | 2005-11-17 | — | — | WO | disclosed |