Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.60 |
| ▸ | CCR1 | P32246 | 3/20 | 0.60 |
| ▸ | CCR5 | P51681 | 3/20 | 0.60 |
| ▸ | CCR8 | P51685 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.60 |
| ▸ | TP53 | P04637 | 3/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | ALPL | P05186 | 1/20 | 0.60 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.60 |
| ▸ | ALPI | P09923 | 1/20 | 0.60 |
| ▸ | ALPG | P10696 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | METAP1 | P53582 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL99284 | 0.88 | KDM4E (0.50) | KDM4ECCR1CCR5CCR8LMNA | |
| SCHEMBL30772294 | 0.88 | KDM4E (0.50) | KDM4ECCR1CCR5CCR8LMNA | |
| SCHEMBL550707 | 0.86 | KDM4E (0.48) | KDM4ECCR1CCR5CCR8LMNA | |
| SCHEMBL5572413 | 0.86 | KDM4E (0.48) | KDM4ECCR1CCR5CCR8LMNA | |
| SCHEMBL13202960 | 0.86 | KDM4E (0.82) | KDM4ECCR1CCR5CCR8LMNA | |
| SCHEMBL12858527 | 0.85 | CCR1 (0.50) | KDM4ECCR1CCR5CCR8LMNA | |
| SCHEMBL2887508 | 0.83 | CYP2A6 (0.46) | KDM4ECCR1CCR5CCR8LMNA | |
| Pyridine SCHEMBL28163770 | 0.81 | CYP2A6 (0.49) | KDM4ECCR1CCR5CCR8LMNA | |
| SCHEMBL17127169 | 0.80 | CCR1 (0.45) | KDM4ECCR1CCR5CCR8LMNA | |
| SCHEMBL30846023 | 0.80 | KDM4E (0.47) | KDM4ECCR1CCR5CCR8LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6187928-B1 | TREATING FUNGAL DISEASES | THE ROCKEFELLER UNIVERSITY | 2001-02-13 | — | — | US | disclosed |
| US-6087510-A | Method of use of imidazolium cations | THE ROCKEFELLER UNIVERSITY (US) | 2000-07-11 | — | — | US | disclosed |
| US-5874587-A | FLUORESCENCE | THE ROCKEFELLER UNIVERSITY (US) | 1999-02-23 | — | — | US | disclosed |