Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | ERN1 | O75460 | 2/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 2/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.35 |
| ▸ | CCND1 | P24385 | 1/20 | 0.35 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.35 |
| ▸ | MGMT | P16455 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9338308 | 0.83 | L3MBTL1 (0.48) | ALDH1A1GAAL3MBTL1MAOAMAOB | |
| SCHEMBL9680846 | 0.81 | L3MBTL1 (0.40) | ALDH1A1L3MBTL1TSHRHCAR2NPC1 | |
| SCHEMBL9449258 | 0.79 | CNR1 (0.47) | L3MBTL1MAOBTSHRGHSR | |
| SCHEMBL9449238 | 0.79 | ATP4A (0.40) | L3MBTL1NPC1RAB9A | |
| SCHEMBL9449235 | 0.79 | ATP4A (0.40) | L3MBTL1NPC1RAB9A | |
| SCHEMBL9680900 | 0.76 | HCAR2 (0.32) | HCAR2 | |
| SCHEMBL9680902 | 0.76 | HCAR2 (0.32) | HCAR2 | |
| SCHEMBL9681900 | 0.76 | HCAR2 (0.32) | ALDH1A1TSHRHCAR2SMN1; SMN2 | |
| SCHEMBL15088137 | 0.76 | L3MBTL1 (0.46) | ALDH1A1GAAL3MBTL1MAOAMAOB | |
| SCHEMBL9681317 | 0.75 | DAGLA (0.34) | HCAR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5202243-A | Biosynthetic hydroxylation yields polymerase inhibitors | MERCK & CO., INC. (US) | 1993-04-13 | — | — | US | disclosed |
| US-5185251-A | Treatment of HIV and AIDS | MERCK & CO., INC. (US) | 1993-02-09 | — | — | US | disclosed |
| EP-0481802-A1 | Hydroxylated inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1992-04-22 | — | — | EP | disclosed |
| EP-0462800-A2 | Inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1991-12-27 | — | — | EP | disclosed |