Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1031865 | 0.81 | TSHR (0.42) | ALDH1A1TSHRTP53CYP3A4MAPK1 | |
| Propane SCHEMBL9456514 | 0.75 | SMN1; SMN2 (0.42) | ALDH1A1TSHRTP53CYP3A4MAPK1 | |
| SCHEMBL16232411 | 0.71 | TSHR (0.48) | ALDH1A1TSHRTP53CYP3A4MAPK1 | |
| SCHEMBL8677271 | 0.69 | — | — | |
| SCHEMBL207666 | 0.68 | — | — | |
| Biphenyl SCHEMBL1979668 | 0.67 | TDP1 (0.50) | ALDH1A1TSHRTP53CYP3A4 | |
| SCHEMBL7934138 | 0.67 | SMN1; SMN2 (0.42) | ALDH1A1TSHRTP53CYP3A4MAPK1 | |
| Hydrochloric Acid SCHEMBL10941465 | 0.66 | — | — | |
| Methane SCHEMBL8676111 | 0.66 | — | — | |
| Fluoride SCHEMBL8522089 | 0.66 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6648941-B2 | Calcium phosphate and/or calcium fluoride is added to powder for improving machinability | KAWASAKI STEEL CORPORATION (JP) | 2003-11-18 | — | — | US | disclosed |
| US-6586187-B1 | 2-benzyloxycarbonylamino-3-(2-(4-(2-(3-benzylureido)-ethyl) -piperazin-1-yl)acetylamino)-propionic acid, for example; method of synthesis using Wang resins; various uses including anticancer, antiinflammatory and antiviral agents | WYETH | 2003-07-01 | — | — | US | disclosed |
| US-20030075016-A1 | Iron-based mixed powder for powder metallurgy and iron-based sintered compact | KAWASAKI STEEL CORPORATION | 2003-04-24 | — | — | US | disclosed |
| EP-1258537-A2 | Iron-based mixed powder for powder metallurgy and iron-based sintered compact | Kawasaki Steel Corporation (JP) | 2002-11-20 | — | — | EP | disclosed |
| WO-2000061545-A1 | METHODS FOR SOLID PHASE COMBINATORIAL SYNTHESIS OF INTEGRIN INHIBITORS | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-10-19 | — | — | WO | disclosed |