Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HRH1 | P35367 | 3/20 | 0.44 |
| ▸ | LTA4H | P09960 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 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 | |
|---|---|---|---|---|
| SCHEMBL6951319 | 0.87 | ERCC5 (0.39) | ALDH1A1KMT2AKDM4ESMN1; SMN2 | |
| Dimethylamine SCHEMBL6943493 | 0.86 | LMNA (0.42) | ALDH1A1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL6946187 | 0.85 | PTPN1 (0.47) | ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL6946973 | 0.85 | KDM4E (0.46) | ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL6951986 | 0.84 | KDM4E (0.37) | ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL6949341 | 0.80 | KDM4E (0.52) | ALDH1A1HRH1LTA4HKDM4ESMN1; SMN2 | |
| SCHEMBL6948187 | 0.80 | ERCC5 (0.40) | ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL6951318 | 0.79 | ERCC5 (0.39) | ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2 | |
| SCHEMBL6947089 | 0.78 | PTPN1 (0.40) | ALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL6947620 | 0.78 | LTA4H (0.50) | ALDH1A1HRH1LTA4HKDM4ESMN1; SMN2 |
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 |