Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 13/20 | 0.60 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.47 |
| ▸ | ABL1 | P00519 | 5/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 5/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | KIT | P10721 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17539705 | 0.80 | KDR (0.55) | KDRNAMPTHDAC3ABL1PDGFRB | |
| Bromide SCHEMBL29350593 | 0.79 | KDR (0.54) | KDRNAMPTHDAC3ABL1PDGFRB | |
| SCHEMBL22560265 | 0.75 | KDR (0.73) | KDRNAMPTHDAC3ABL1PDGFRB | |
| SCHEMBL6330184 | 0.75 | KDR (1.00) | KDRHDAC3ABL1PDGFRBHDAC4 | |
| SCHEMBL6330404 | 0.72 | KDR (1.00) | KDRNAMPTROCK1 | |
| SCHEMBL24225743 | 0.72 | KDR (0.40) | KDRNAMPTHDAC3ABL1PDGFRB | |
| SCHEMBL13701560 | 0.71 | KDR (0.81) | KDRNPC1RAB9A | |
| SCHEMBL12909537 | 0.71 | KDR (0.59) | KDRHDAC3ABL1PDGFRBHDAC4 | |
| SCHEMBL3651635 | 0.71 | KDR (1.00) | KDRNAMPTROCK1 | |
| SCHEMBL12890440 | 0.69 | KDR (0.56) | KDRHDAC3ABL1PDGFRBHDAC4 |
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-2016028325-A1 | TRPA1 AND TRPV4 INHIBITORS AND METHODS OF USING THE SAME FOR ORGAN-SPECIFIC INFLAMMATION AND ITCH | DUKE UNIVERSITY (US) | 2016-02-25 | — | — | WO | disclosed |