Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2C | Q14957 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | MAPT | P10636 | 8/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8206226 | 0.93 | ALDH1A1 (0.42) | GRIN2CALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL8200396 | 0.92 | ALDH1A1 (0.44) | GRIN2CALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL8206045 | 0.92 | GRIN2C (0.39) | GRIN2CALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL8212479 | 0.90 | MAPT (0.38) | GRIN2CALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL8200038 | 0.89 | NPC1 (0.37) | GRIN2CALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL8199988 | 0.89 | ALDH1A1 (0.37) | GRIN2CALDH1A1MAPTSMN1; SMN2RAB9A | |
| SCHEMBL8200375 | 0.86 | ALDH1A1 (0.41) | GRIN2CALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL8199938 | 0.85 | ALDH1A1 (0.38) | GRIN2CALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL8200330 | 0.85 | MAPT (0.45) | GRIN2CALDH1A1MAPTKDM4EMEN1 | |
| SCHEMBL8207229 | 0.83 | ALOX15 (0.40) | ALDH1A1MAPTKMT2ASMN1; SMN2GAA |
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 |
|---|---|---|---|---|---|---|---|
| US-6143777-A | ENZYME INHIBITORS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2000-11-07 | — | — | US | disclosed |