Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | EPHA2 | P29317 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | EPHB4 | P54760 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | ACACB | O00763 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | SMO | Q99835 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19979716 | 0.82 | ALDH1A1 (0.39) | CYP1A2CYP2D6L3MBTL1EPHA2KDR | |
| SCHEMBL19979715 | 0.82 | ALDH1A1 (0.39) | CYP1A2CYP2D6L3MBTL1EPHA2KDR | |
| SCHEMBL19979742 | 0.73 | CYP3A4 (0.39) | L3MBTL1EPHA2KDREPHB4ALDH1A1 | |
| SCHEMBL19979749 | 0.73 | CYP3A4 (0.39) | L3MBTL1EPHA2KDREPHB4ALDH1A1 | |
| SCHEMBL29176525 | 0.72 | CYP1A2 (0.38) | CYP1A2GFERCYP2D6L3MBTL1EPHA2 | |
| SCHEMBL29176527 | 0.72 | CYP1A2 (0.38) | CYP1A2GFERCYP2D6L3MBTL1EPHA2 | |
| SCHEMBL29176594 | 0.68 | CYP1A2 (0.44) | CYP1A2GFERCYP2D6L3MBTL1EPHA2 | |
| SCHEMBL29176596 | 0.68 | CYP1A2 (0.44) | CYP1A2GFERCYP2D6L3MBTL1EPHA2 | |
| SCHEMBL19975457 | 0.68 | MAOA (0.39) | L3MBTL1EPHA2KDREPHB4ALDH1A1 | |
| SCHEMBL30147129 | 0.68 | CYP1A2 (0.41) | CYP1A2CYP2D6L3MBTL1EPHA2KDR |
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-2018053302-A1 | MACROCYCLIC COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE ACTIVITY AND USE THEREOF | ENSEMBLE THERAPEUTICS CORPORATION (US) | 2018-03-22 | — | — | WO | disclosed |