Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6943711 | 0.84 | LTA4H (0.43) | LTA4HSMN1; SMN2MEN1KMT2ALMNA | |
| SCHEMBL6946183 | 0.83 | LTA4H (0.52) | ALDH1A1LTA4HSMN1; SMN2MEN1KMT2A | |
| SCHEMBL6949388 | 0.79 | LTA4H (0.42) | ALDH1A1LTA4HSMN1; SMN2POLBHTT | |
| SCHEMBL6944964 | 0.79 | ALDH1A1 (0.46) | ALDH1A1TSHRSMN1; SMN2POLBMEN1 | |
| SCHEMBL6947814 | 0.77 | LMNA (0.53) | ALDH1A1TSHRLTA4HSMN1; SMN2MEN1 | |
| SCHEMBL6950237 | 0.76 | LTA4H (0.44) | ALDH1A1LTA4HSMN1; SMN2MEN1KMT2A | |
| SCHEMBL2097755 | 0.74 | LTA4H (0.53) | LTA4HLMNA | |
| SCHEMBL6947089 | 0.74 | PTPN1 (0.40) | ALDH1A1TSHRMEN1KMT2ASLC6A2 | |
| SCHEMBL7077380 | 0.74 | LTA4H (0.42) | ALDH1A1LTA4HSMN1; SMN2MEN1KMT2A | |
| SCHEMBL7079204 | 0.73 | HTT (0.52) | ALDH1A1LTA4HSMN1; SMN2HTTHPGD |
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 |