Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BBOX1 | O75936 | 2/20 | 0.35 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9074301 | 0.97 | BBOX1 (0.37) | BBOX1 | |
| SCHEMBL6163047 | 0.92 | — | — | |
| SCHEMBL8522114 | 0.79 | KDM4E (0.32) | CYP2C19 | |
| SCHEMBL7364403 | 0.78 | CA2 (0.31) | TSHR | |
| SCHEMBL25882020 | 0.78 | BBOX1 (0.36) | BBOX1TSHR | |
| SCHEMBL3189969 | 0.78 | BBOX1 (0.45) | BBOX1TSHR | |
| SCHEMBL25882019 | 0.75 | CYP1A2 (0.32) | BBOX1 | |
| SCHEMBL5087967 | 0.72 | BBOX1 (0.54) | BBOX1TSHRCTDSP1 | |
| SCHEMBL9372219 | 0.72 | BBOX1 (0.59) | BBOX1TSHR | |
| Hydrochloric Acid SCHEMBL5085268 | 0.70 | BBOX1 (0.52) | BBOX1TSHRCTDSP1 |
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-5889023-A | 3(R)-(2-(PIPERIDIN-4-YL)ETHYL)-2-PIPERIDON-1-YLACETYL-3(S)-3-( PYRIDYL)-BETA-ALANINE OR SALT USED AS AN ANTICOAGULANT | MERCK & CO., INC. (US) | 1999-03-30 | — | — | US | disclosed |
| US-5852045-A | Fibrinogen receptor antagonists | MERCK & CO., INC. (US) | 1998-12-22 | — | — | US | disclosed |
| EP-0755374-A4 | PROCESS FOR PEPTIDE SEGMENT CONDENSATION | MERCK & CO INC (US) | 1998-09-16 | — | — | EP | disclosed |
| EP-0755374-A1 | PROCESS FOR PEPTIDE SEGMENT CONDENSATION | Merck & Co., Inc. (a New Jersey corp.) (US) | 1997-01-29 | — | — | EP | disclosed |
| WO-1995027727-A2 | PROCESS FOR PEPTIDE SEGMENT CONDENSATION | MERCK & CO., INC. (US) | 1995-10-19 | — | — | WO | disclosed |