Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 3/20 | 0.57 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
| ▸ | DRD1 | P21728 | 1/20 | 0.55 |
| ▸ | DRD4 | P21917 | 1/20 | 0.55 |
| ▸ | DRD5 | P21918 | 1/20 | 0.55 |
| ▸ | HRH1 | P35367 | 3/20 | 0.47 |
| ▸ | HTR7 | P34969 | 3/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL6948153 | 0.80 | MAOB (0.46) | MAOBKDM4ELMNA | |
| SCHEMBL6644583 | 0.78 | HTR7 (0.57) | LTA4HDRD2DRD1DRD4DRD5 | |
| SCHEMBL1909360 | 0.76 | HTR7 (0.47) | HTR7MAOBKDM4ELMNACYP1A2 | |
| SCHEMBL6052479 | 0.76 | KDM4E (0.57) | DRD2DRD1DRD4DRD5HTR7 | |
| SCHEMBL6948018 | 0.75 | XDH (0.45) | MAOB | |
| SCHEMBL27195774 | 0.75 | ALDH1A1 (0.70) | KDM4E | |
| SCHEMBL13588339 | 0.74 | LTA4H (1.00) | LTA4HDRD2DRD1DRD4DRD5 | |
| SCHEMBL9360174 | 0.71 | MAOB (0.51) | LTA4HMAOBKDM4EESR1 | |
| SCHEMBL27866765 | 0.71 | HTR1B (0.55) | HRH1HTR7KDM4EHTR1B | |
| Phenyltoloxamine SCHEMBL5145512 | 0.71 | DRD1 (1.00) | LTA4HDRD2DRD1DRD4DRD5 |
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 |