Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | OTC | P00480 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.32 |
| ▸ | LPAR3 | Q9UBY5 | 2/20 | 0.32 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16785847 | 0.79 | TSHR (0.48) | TSHRPPARDTP53TDP1 | |
| SCHEMBL9184689 | 0.78 | PPARD (0.46) | TSHRPPARDTP53TDP1LPAR3 | |
| SCHEMBL1563641 | 0.77 | PPARD (0.56) | TSHRPPARDKDM4EMMP2THRB | |
| SCHEMBL4207706 | 0.77 | TSHR (0.55) | TSHRPPARDTP53TDP1 | |
| SCHEMBL5591 | 0.77 | TSHR (0.55) | TSHRPPARDKDM4EMMP2THRB | |
| SCHEMBL8764678 | 0.74 | — | — | |
| SCHEMBL14900679 | 0.73 | TP53 (0.50) | TSHRPPARDTP53TDP1 | |
| SCHEMBL93840 | 0.73 | — | — | |
| SCHEMBL4399686 | 0.73 | — | — | |
| SCHEMBL17737221 | 0.73 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2120575-A1 | SPHINGOSINE-1 -PHOSPHATE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS | Abbott Laboratories (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008079382-A1 | SPHINGOSINE-1 -PHOSPHATE RECEPTOR AGONIST AND ANTAGONIST COMPOUNDS | ABBOTT LABORATORIES (US) | 2008-07-03 | — | — | WO | disclosed |
| US-5635495-A | ANTIARTHRITIC AGENTS TREATING BONE DISORDER, OSTEOPOROSIS; CALCIUM CHANNEL BLOCKERS | THE UPJOHN COMPANY (US) | 1997-06-03 | — | — | US | disclosed |
| EP-0663919-A1 | PYRIMIDINE BISPHOSPHONATE ESTERS AS ANTI-INFLAMATORIES | PHARMACIA & UPJOHN COMPANY (US) | 1995-07-26 | — | — | EP | disclosed |
| US-5428028-A | Method for lowering cholesterol employing a phosphonomethylphosphinate squalene synthetase inhibitor | E. R. SQUIBB & SONS, INC. (US) | 1995-06-27 | — | — | US | disclosed |
| WO-1994009017-A1 | PYRIMIDINE BISPHOSPHONATE ESTERS AND (ALKOXYMETHYLPHOSPHINYL)ALKYL PHOSPHONIC ACIDS AS ANTI-INFLAMMATORIES | THE UPJOHN COMPANY (US) | 1994-04-28 | — | — | WO | disclosed |
| EP-0514124-A2 | Use of phosphonomethylphosphinate squalene synthetase inhibitors for the manufacture of a medicament for the lowering cholesterol | E.R. SQUIBB & SONS, INC. (US) | 1992-11-19 | — | — | EP | disclosed |