Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | CTSD | P07339 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL21687919 | 1.00 | SRC (0.50) | SRCCYP2D6NPC1RAB9AL3MBTL1 | |
| SCHEMBL4740644 | 1.00 | SRC (0.50) | SRCCYP2D6NPC1RAB9AL3MBTL1 | |
| SCHEMBL9756551 | 0.83 | NPC1 (0.47) | SRCCYP2D6NPC1RAB9AL3MBTL1 | |
| SCHEMBL1569023 | 0.83 | NPC1 (0.51) | CYP2D6NPC1RAB9AL3MBTL1LMNA | |
| SCHEMBL11293770 | 0.83 | ALDH1A1 (0.41) | NPC1RAB9AL3MBTL1LMNAALDH1A1 | |
| SCHEMBL4828917 | 0.81 | SRC (0.54) | SRCCYP2D6L3MBTL1LMNAMAPK1 | |
| SCHEMBL14506219 | 0.81 | SRC (0.54) | SRCCYP2D6L3MBTL1LMNAMAPK1 | |
| SCHEMBL11299515 | 0.81 | CYP2C9 (0.50) | CYP2D6LMNAKMT2A | |
| SCHEMBL11666756 | 0.81 | RAB9A (0.40) | NPC1RAB9AL3MBTL1ALDH1A1SMN1; SMN2 | |
| SCHEMBL8804842 | 0.81 | L3MBTL1 (0.55) | CYP2D6NPC1RAB9AL3MBTL1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3826723-B1 | BORONIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2023-10-18 | — | — | EP | disclosed |
| WO-2020020858-A1 | BORONIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2020-01-30 | — | — | WO | disclosed |