Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 4/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2895486 | 0.87 | LMNA (0.40) | LMNAKCNH2GRM2TP53NPC1 | |
| SCHEMBL2898715 | 0.84 | NPSR1 (0.48) | LMNAKCNH2GRM2TP53CYP2D6 | |
| SCHEMBL2898773 | 0.84 | TSHR (0.46) | LMNAKCNH2GRM2TP53CYP2D6 | |
| SCHEMBL2898693 | 0.83 | NPSR1 (0.47) | LMNAKCNH2GRM2TP53CYP2D6 | |
| SCHEMBL2900488 | 0.83 | NPSR1 (0.47) | LMNAKCNH2GRM2TP53CYP2D6 | |
| SCHEMBL2895568 | 0.82 | TSHR (0.42) | LMNAKCNH2GRM2TP53CYP2D6 | |
| SCHEMBL2895565 | 0.82 | TSHR (0.42) | LMNAKCNH2GRM2TP53CYP2D6 | |
| SCHEMBL2900598 | 0.81 | TP53 (0.46) | LMNAKCNH2GRM2TP53CYP2D6 | |
| SCHEMBL2900613 | 0.81 | KCNH2 (0.39) | LMNAKCNH2GRM2TP53CYP2D6 | |
| SCHEMBL2899147 | 0.81 | KCNH2 (0.38) | LMNAKCNH2GRM2TP53CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1725102-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2009-04-29 | — | — | EP | disclosed |
| EP-1725102-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2006-11-29 | — | — | EP | disclosed |
| WO-2005092099-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 2005-10-06 | — | — | WO | disclosed |