Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LPL | P06858 | 4/20 | 0.39 |
| ▸ | LIPG | Q9Y5X9 | 4/20 | 0.39 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | TACR2 | P21452 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9665976 | 0.88 | ESR1 (0.42) | LPLLIPGSPHK1HTR2AESR1 | |
| SCHEMBL8712967 | 0.83 | LPL (0.41) | LPLLIPGSPHK1CNR2CNR1 | |
| SCHEMBL3602073 | 0.76 | — | — | |
| SCHEMBL9668185 | 0.66 | — | — | |
| SCHEMBL9665225 | 0.66 | CYP19A1 (0.30) | — | |
| SCHEMBL10568240 | 0.62 | ESR1 (0.73) | LPLLIPGHTR2AESR1ADRA2A | |
| SCHEMBL181089 | 0.62 | ESR1 (0.73) | LPLLIPGHTR2AESR1ADRA2A | |
| SCHEMBL109256 | 0.61 | HTR2A (0.72) | LPLLIPGHTR2AESR1ADRA2A | |
| SCHEMBL23849704 | 0.60 | ESR1 (0.77) | LPLLIPGHTR2AESR1ADRA2A | |
| SCHEMBL1412818 | 0.60 | ESR1 (0.77) | LPLLIPGHTR2AESR1ADRA2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5770772-A | 4-FORMYLAMINO-2,3,5-TRIMETHYL-1-(2-METHYL-2-PROPENYLOXY) -BENZENE; ARTERIOSCLEROSIS, BRAIN AND CARDIOVASCULAR DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-06-23 | — | — | US | disclosed |
| US-5594154-A | 5-AMINO-2-BROMOMETHYL-2,4,6,7-TETRAMETHYL-2,3-DIHYDROBENZO(B) FURANS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-01-14 | — | — | US | disclosed |
| US-5478844-A | Method of using aminocoumaran derivatives for treating cerebrovascular diseases | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-12-26 | — | — | US | disclosed |
| EP-0483772-B1 | Aminocoumaran derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1995-09-13 | — | — | EP | disclosed |
| US-5376681-A | Aminocoumaran derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-12-27 | — | — | US | disclosed |
| EP-0483772-A1 | Aminocoumaran derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-05-06 | — | — | EP | disclosed |