Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 8/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | MC4R | P32245 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL6947937 | 0.82 | PTPN1 (0.43) | KDM4E | |
| SCHEMBL6948110 | 0.80 | MEN1 (0.44) | MEN1KMT2APKMALDH1A1 | |
| SCHEMBL6945097 | 0.79 | SMN1; SMN2 (0.42) | MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL6947089 | 0.79 | PTPN1 (0.40) | MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL6946973 | 0.77 | KDM4E (0.46) | MEN1KMT2AKDM4EALDH1A1 | |
| Dimethylamine SCHEMBL6947095 | 0.76 | ERCC5 (0.50) | ALDH1A1 | |
| SCHEMBL6943825 | 0.76 | ERCC5 (0.43) | MEN1KMT2AKDM4EALDH1A1ALOX15 | |
| SCHEMBL7077211 | 0.75 | SMN1; SMN2 (0.46) | MEN1KMT2AKDM4EALDH1A1ALOX15 | |
| SCHEMBL6947888 | 0.74 | ERCC5 (0.42) | ALDH1A1 | |
| SCHEMBL6949373 | 0.73 | ERCC5 (0.49) | ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | 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 |