Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 6/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | USP28 | Q96RU2 | 1/20 | 0.46 |
| ▸ | USP25 | Q9UHP3 | 1/20 | 0.46 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4427861 | 0.84 | CCR5 (0.50) | CCR5SLC6A4MAOBPTPN1LMNA | |
| SCHEMBL15056732 | 0.82 | CCR5 (0.48) | CCR5SLC6A4MAOBPTPN1LMNA | |
| SCHEMBL15056730 | 0.82 | CCR5 (0.48) | CCR5SLC6A4MAOBPTPN1LMNA | |
| SCHEMBL20359857 | 0.81 | MAPT (0.49) | MAOBLMNAALDH1A1RAB9AHTT | |
| SCHEMBL31644088 | 0.80 | SLC6A4 (0.66) | CCR5SLC6A4MAOBLMNAALDH1A1 | |
| SCHEMBL368071 | 0.80 | SLC6A4 (0.66) | CCR5SLC6A4MAOBLMNAALDH1A1 | |
| SCHEMBL1029072 | 0.80 | CCNB2 (0.62) | ALDH1A1RAB9AHTTNPC1CYP1A2 | |
| SCHEMBL4430797 | 0.80 | MAOB (0.60) | CCR5SLC6A4MAOBLMNAUSP2 | |
| SCHEMBL4430794 | 0.80 | MAOB (0.60) | CCR5SLC6A4MAOBLMNAUSP2 | |
| SCHEMBL13886069 | 0.80 | MAOB (0.60) | CCR5SLC6A4MAOBLMNAUSP2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3782995-B1 | SPIRO CONDENSED IMIDAZOLINE-2,4-DIONE DERIVATIVES AS HISTONE ACETYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF CANCER DISEASES | SHANGHAI INST MATERIA MEDICA CAS (CN) | 2023-11-22 | — | — | EP | disclosed |
| EP-3782995-A1 | HISTONE ACETYLTRANSFERASE (HAT) INHIBITOR AND USE THEREOF | Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) | 2021-02-24 | — | — | EP | disclosed |