Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 2/20 | 0.53 |
| ▸ | SCN1A | P35498 | 4/20 | 0.47 |
| ▸ | SCN2A | Q99250 | 4/20 | 0.47 |
| ▸ | SCN3A | Q9NY46 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NPY1R | P25929 | 1/20 | 0.45 |
| ▸ | NPY2R | P49146 | 1/20 | 0.45 |
| ▸ | LTA4H | P09960 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6945630 | 0.90 | HAO1 (0.42) | HRH1 | |
| SCHEMBL6950546 | 0.89 | PDE4A (0.42) | HRH1KDM4ELTA4HALDH1A1MEN1 | |
| SCHEMBL6946225 | 0.88 | PDE4B (0.43) | HRH1KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL6948223 | 0.78 | NPC1 (0.47) | SMN1; SMN2MAPT | |
| SCHEMBL6946203 | 0.76 | LMNA (0.46) | KDM4EMAPTLMNANPSR1ALDH1A1 | |
| Dimethylamine SCHEMBL6947623 | 0.75 | LMNA (0.46) | KDM4ESMN1; SMN2MAPTLMNANPSR1 | |
| SCHEMBL5148099 | 0.75 | IDO1 (0.44) | KDM4ELMNAALDH1A1 | |
| Dimethylamine SCHEMBL6950061 | 0.74 | IDO1 (0.44) | KDM4ELMNAALDH1A1 | |
| SCHEMBL6943341 | 0.73 | ERCC5 (0.42) | — | |
| SCHEMBL6950587 | 0.73 | LTA4H (0.56) | KDM4ELTA4HMAPTALDH1A1MEN1 |
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 8 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 | claimed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | claimed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | claimed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | claimed |
| 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 |