Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | ME2 | P23368 | 1/20 | 0.38 |
| ▸ | ME1 | P48163 | 1/20 | 0.38 |
| ▸ | ME3 | Q16798 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.37 |
| ▸ | PLA2G2A | P14555 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14764354 | 0.85 | DRD2 (0.51) | KDM4EGAAMAPTLMNAALDH1A1 | |
| SCHEMBL14765211 | 0.84 | KDM4E (0.44) | KDM4EGAAMAPTLMNAALDH1A1 | |
| SCHEMBL14764534 | 0.80 | DRD2 (0.53) | GAAMAPTLMNAALDH1A1MEN1 | |
| SCHEMBL29240322 | 0.75 | KDM4E (0.69) | KDM4EGAAMAPTLMNAALDH1A1 | |
| SCHEMBL30602861 | 0.72 | MAPT (0.50) | KDM4EGAAMAPTLMNAALDH1A1 | |
| SCHEMBL10724890 | 0.70 | GAA (0.62) | KDM4EGAAMAPTLMNAALDH1A1 | |
| Bromide SCHEMBL11215769 | 0.69 | GAA (0.60) | KDM4EGAAMAPTLMNAALDH1A1 | |
| SCHEMBL30593301 | 0.69 | KDM4E (0.43) | KDM4EGAAMAPTLMNAALDH1A1 | |
| SCHEMBL14764819 | 0.69 | DRD2 (0.51) | GAAMAPTLMNAALDH1A1MAPK1 | |
| SCHEMBL15912657 | 0.68 | MAPT (0.58) | KDM4EGAAHDAC3HDAC8MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013036866-A1 | ITRACONAZOLE ANALOGS AND USE THEREOF | THE JOHNS HOPKINS UNIVERSITY (US) | 2013-03-14 | — | — | WO | disclosed |