Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.63 |
| ▸ | NPC1 | O15118 | 2/20 | 0.63 |
| ▸ | RAB9A | P51151 | 2/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.38 |
| ▸ | ACACB | O00763 | 4/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | OGA | O60502 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL9946220 | 0.84 | KDM4E (0.64) | KDM4ENPC1RAB9AMEN1KMT2A | |
| SCHEMBL2455500 | 0.81 | KDM4E (0.60) | KDM4ENPC1RAB9AMEN1KMT2A | |
| SCHEMBL21173405 | 0.80 | KDM4E (0.60) | KDM4ENPC1RAB9AMEN1KMT2A | |
| SCHEMBL17471338 | 0.79 | KDM4E (0.59) | KDM4ENPC1RAB9AMEN1KMT2A | |
| SCHEMBL16015955 | 0.78 | NPC1 (0.57) | KDM4ENPC1RAB9AMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL17455064 | 0.78 | KDM4E (0.57) | KDM4ENPC1RAB9AMEN1KMT2A | |
| SCHEMBL1550262 | 0.77 | KDM4E (0.56) | KDM4ENPC1RAB9AMEN1KMT2A | |
| SCHEMBL19450531 | 0.74 | KDM4E (0.54) | KDM4ENPC1RAB9AMEN1KMT2A | |
| SCHEMBL19434393 | 0.73 | KDM4E (0.52) | KDM4ENPC1RAB9AMEN1KMT2A | |
| SCHEMBL12474581 | 0.73 | NPC1 (0.52) | KDM4ENPC1RAB9AMEN1KMT2A |
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-2018053126-A1 | INHIBITION OF BMP SIGNALING, COMPOUNDS, COMPOSITIONS AND USES THEREOF | VANDERBILT UNIVERSITY (US) | 2018-03-22 | — | — | WO | disclosed |