Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6951262 | 0.82 | LTA4H (0.47) | KMT2AMEN1LMNAALDH1A1HTT | |
| SCHEMBL6949748 | 0.80 | ERCC5 (0.53) | KDM4EPOLBKMT2AMEN1LMNA | |
| SCHEMBL6944966 | 0.80 | ALDH1A1 (0.42) | KMT2AMEN1LMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL26317010 | 0.79 | TPMT (0.55) | KDM4EPOLBKMT2AMEN1LMNA | |
| SCHEMBL8427360 | 0.77 | TPMT (0.48) | KMT2AMEN1ALDH1A1NPC1RAB9A | |
| SCHEMBL28874159 | 0.73 | CTNNB1 (0.54) | POLBKMT2AMEN1LMNASMN1; SMN2 | |
| SCHEMBL2140229 | 0.72 | LMNA (0.58) | KDM4ELMNAALDH1A1SLC7A5NPC1 | |
| SCHEMBL7262190 | 0.72 | KMT2A (0.47) | KDM4EPOLBKMT2AMEN1ALDH1A1 | |
| Benzene SCHEMBL28216395 | 0.71 | KMT2A (0.56) | KDM4EPOLBKMT2AMEN1LMNA | |
| SCHEMBL54072 | 0.71 | KMT2A (0.56) | KDM4EPOLBKMT2AMEN1LMNA |
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 |