Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HMGCR | P04035 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 5/20 | 0.31 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.30 |
| ▸ | GRM2 | Q14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL2891360 | 0.90 | ACHE (0.34) | HTTACHEAKR1B1TP53HMGCR | |
| SCHEMBL2890889 | 0.86 | ACHE (0.32) | HTTACHETP53HMGCRKMT2A | |
| Hydrochloric Acid SCHEMBL4224979 | 0.85 | TP53 (0.36) | HTTAKR1B1TP53HMGCRKMT2A | |
| SCHEMBL2900634 | 0.81 | ACHE (0.40) | HTTACHEHMGCRKMT2A | |
| SCHEMBL13085834 | 0.81 | TP53 (0.35) | HTTTP53HMGCRS1PR1GRM2 | |
| SCHEMBL2891857 | 0.80 | TP53 (0.39) | HTTAKR1B1TP53HMGCRKMT2A | |
| SCHEMBL13094093 | 0.78 | HTT (0.35) | HTTTP53HMGCRKMT2AGRM2 | |
| SCHEMBL2892030 | 0.78 | P2RX3 (0.33) | HTTTP53HMGCRKMT2AL3MBTL1 | |
| SCHEMBL2899639 | 0.78 | TP53 (0.36) | HTTTP53HMGCRKMT2A | |
| SCHEMBL2898698 | 0.77 | KMT2A (0.39) | HTTHMGCRKMT2AL3MBTL1S1PR1 |
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 |