Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | APP | P05067 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2566987 | 0.89 | CYP3A4 (0.41) | RAB9AALDH1A1NPC1SMN1; SMN2MAPT | |
| SCHEMBL17551040 | 0.85 | CYP3A4 (0.36) | RAB9AALDH1A1NPC1SMN1; SMN2MAPT | |
| SCHEMBL15786690 | 0.84 | CYP3A4 (0.41) | RAB9AALDH1A1NPC1SMN1; SMN2MAPT | |
| SCHEMBL20357876 | 0.79 | CYP3A4 (0.47) | ALDH1A1LMNACYP3A4CYP1A2CYP2D6 | |
| SCHEMBL16265238 | 0.78 | CYP3A4 (0.36) | RAB9AALDH1A1NPC1SMN1; SMN2MAPT | |
| SCHEMBL2572427 | 0.77 | APP (0.48) | RAB9AALDH1A1NPC1SMN1; SMN2MAPT | |
| SCHEMBL1357035 | 0.77 | ALDH1A1 (0.50) | ALDH1A1LMNACYP3A4CA2TDP1 | |
| SCHEMBL1356320 | 0.77 | ALDH1A1 (0.50) | ALDH1A1LMNACYP3A4CA2TDP1 | |
| SCHEMBL17551039 | 0.77 | CYP3A4 (0.33) | ALDH1A1LMNAAPPCYP3A4CYP1A2 | |
| SCHEMBL16265316 | 0.77 | CYP3A4 (0.35) | RAB9AALDH1A1NPC1SMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3186334-B1 | DEVICE FOR CONTROLLING THE PASSAGE OF ENERGY | MERCK PATENT GMBH (DE) | 2019-09-25 | — | — | EP | disclosed |