Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 2/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | TGM2 | P21980 | 1/20 | 0.51 |
| ▸ | CTSK | P43235 | 3/20 | 0.49 |
| ▸ | TACR1 | P25103 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 2/20 | 0.48 |
| ▸ | CTSS | P25774 | 2/20 | 0.48 |
| ▸ | ELANE | P08246 | 1/20 | 0.48 |
| ▸ | CTSB | P07858 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL22754646 | 0.84 | ATM (0.54) | CTRB1ATMCTSKCTSLCTSS | |
| SCHEMBL8173806 | 0.83 | CTRB1 (0.54) | CTRB1ATMTGM2CTSKTACR1 | |
| SCHEMBL937972 | 0.83 | ATM (0.57) | CTRB1ATMCTSKCTSLCTSS | |
| SCHEMBL8101657 | 0.83 | CTRB1 (0.54) | CTRB1ATMTGM2CTSKTACR1 | |
| SCHEMBL7372388 | 0.83 | CTRB1 (0.54) | CTRB1ATMTGM2CTSKTACR1 | |
| SCHEMBL937973 | 0.83 | ATM (0.57) | CTRB1ATMCTSKCTSLCTSS | |
| SCHEMBL14769904 | 0.83 | CTRB1 (0.54) | CTRB1ATMTGM2CTSKTACR1 | |
| SCHEMBL22118319 | 0.83 | CTRB1 (0.54) | CTRB1ATMTGM2CTSKTACR1 | |
| SCHEMBL14396693 | 0.82 | CTSS (0.55) | CTRB1ATMCTSKCTSLCTSS | |
| SCHEMBL6712580 | 0.82 | CTRB1 (0.59) | CTRB1CTSKTACR1CTSLCTSS |
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-5914313-A | ANTIBIOTICS | MERCK & CO., INC. (US) | 1999-06-22 | — | — | US | disclosed |
| US-5741775-A | ANTIBIOTIC AND ANTIFUNGAL AGENTS | MERCK & CO., INC. (US) | 1998-04-21 | — | — | US | disclosed |
| EP-0697879-A4 | CYCLOHEXAPEPTIDYL AMINOALKYL ETHERS | MERCK & CO INC (US) | 1998-01-14 | — | — | EP | disclosed |
| EP-0697879-A1 | CYCLOHEXAPEPTIDYL AMINOALKYL ETHERS | MERCK & CO. INC. (US) | 1996-02-28 | — | — | EP | disclosed |
| WO-1994025045-A1 | CYCLOHEXAPEPTIDYL AMINOALKYL ETHERS | MERCK & CO., INC. (US) | 1994-11-10 | — | — | WO | disclosed |