Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | GSK3A | P49840 | 2/20 | 0.42 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | PIN4 | Q9Y237 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4109529 | 0.98 | TSHR (0.58) | TSHRSMN1; SMN2GSK3AGSK3BTHRB | |
| SCHEMBL4385456 | 0.85 | TSHR (0.64) | TSHRTHRBPOLB | |
| SCHEMBL12552396 | 0.84 | SMN1; SMN2 (0.51) | TSHRSMN1; SMN2THRBPOLBTDP1 | |
| SCHEMBL4386122 | 0.82 | TSHR (0.61) | TSHRTHRB | |
| SCHEMBL28507628 | 0.80 | SMN1; SMN2 (0.45) | TSHRSMN1; SMN2THRBPOLBTDP1 | |
| Ethyl Piperazinoacetate SCHEMBL5699 | 0.80 | SIGMAR1 (0.49) | TSHRGSK3AGSK3BPOLBELANE | |
| SCHEMBL20821039 | 0.79 | SMN1; SMN2 (0.49) | TSHRSMN1; SMN2THRBPOLBKMT2A | |
| SCHEMBL12226469 | 0.78 | SMN1; SMN2 (0.51) | TSHRSMN1; SMN2THRBPOLBKMT2A | |
| Ethyl Piperazinoacetate SCHEMBL17271810 | 0.78 | SIGMAR1 (0.47) | TSHRSMN1; SMN2GSK3AGSK3BELANE | |
| Ethyl Piperazinoacetate SCHEMBL16528281 | 0.78 | SIGMAR1 (0.47) | TSHRSMN1; SMN2GSK3AGSK3BELANE |
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-6114328-A | ANTICOAGULANTS; BLOOD DISORDERS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-09-05 | — | — | US | disclosed |
| EP-0970950-A2 | Novel isoxazoline and isoxazole fibrinogen receptor antagonists | DuPont Pharmaceuticals Company (US) | 2000-01-12 | — | — | EP | disclosed |
| US-5849736-A | Isoxazoline and isoxazole fibrinogen receptor antagonists | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-15 | — | — | US | disclosed |
| US-5559232-A | ANTICOAGULANTS | HOFFMANN-LA ROCHE INC. (US) | 1996-09-24 | — | — | US | disclosed |
| EP-0730590-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-11 | — | — | EP | disclosed |
| WO-1995014683-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-06-01 | — | — | WO | disclosed |