Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TDP2 | O95551 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL459641 | 0.84 | CES1 (0.40) | CYP3A4CYP11B2SMN1; SMN2MAPTMAOB | |
| SCHEMBL29987608 | 0.84 | CES1 (0.40) | CYP3A4CYP11B2SMN1; SMN2MAPTMAOB | |
| SCHEMBL5119030 | 0.83 | CYP3A4 (0.42) | TDP1L3MBTL1CYP3A4CYP11B2SMN1; SMN2 | |
| SCHEMBL21559837 | 0.81 | NPC1 (0.39) | TDP1L3MBTL1CHRNB4CHRNA3CYP3A4 | |
| SCHEMBL14036882 | 0.77 | MCL1 (0.38) | TDP1L3MBTL1CHRNB4CHRNA3SMN1; SMN2 | |
| SCHEMBL27362601 | 0.77 | CES1 (0.33) | CYP3A4CYP11B2SMN1; SMN2MAPTMAOB | |
| SCHEMBL8268146 | 0.77 | HTR1A (0.48) | L3MBTL1MAPTMAOBNPC1RAB9A | |
| SCHEMBL22685320 | 0.76 | TDP1 (0.38) | TDP1L3MBTL1CHRNB4CHRNA3CYP3A4 | |
| SCHEMBL16340167 | 0.75 | NPC1 (0.42) | L3MBTL1CYP3A4CYP11B2SMN1; SMN2GAA | |
| SCHEMBL4132334 | 0.75 | CYP11B2 (0.56) | CYP3A4CYP11B2SMN1; SMN2CYP17A1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |