Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.49 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ESRRG | P62508 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3400607 | 0.85 | EPHX2 (0.51) | NR1H4EPHX2HDAC3HDAC11HDAC8 | |
| SCHEMBL7593631 | 0.85 | HDAC8 (0.51) | NR1H4HDAC3HDAC8HDAC6RAB9A | |
| Hydrochloric Acid SCHEMBL3400227 | 0.84 | EPHX2 (0.50) | NR1H4EPHX2HDAC3HDAC11HDAC8 | |
| SCHEMBL7658706 | 0.82 | ALDH1A1 (0.49) | RAB9ANPC1MEN1KMT2AMAPT | |
| SCHEMBL7660219 | 0.82 | KMT2A (0.44) | SMN1; SMN2MEN1KMT2ACA1CA2 | |
| SCHEMBL6811496 | 0.82 | TSHR (0.49) | RAB9ANPC1SMN1; SMN2MEN1KMT2A | |
| SCHEMBL6815733 | 0.81 | PLAU (0.48) | EPHX2HDAC8HDAC6RAB9ANPC1 | |
| SCHEMBL6816272 | 0.81 | EPHX2 (0.67) | NR1H4EPHX2HDAC3HDAC8HDAC6 | |
| SCHEMBL7302042 | 0.79 | HDAC3 (0.73) | KIF11NR1H4EPHX2HDAC3HDAC11 | |
| SCHEMBL907583 | 0.79 | NR1H4 (0.54) | NR1H4EPHX2HDAC3HDAC11HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| US-6262082-B1 | Diaminopyridine-containing thiourea inhibitors of herpes viruses | WYETH | 2001-07-17 | — | — | US | disclosed |