Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | STS | P08842 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2732527 | 0.91 | BACE1 (0.40) | BACE1ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL2732525 | 0.91 | BACE1 (0.40) | BACE1ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL10210011 | 0.85 | ALDH1A1 (0.36) | ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6976637 | 0.74 | STS (0.43) | BACE1ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL6976632 | 0.74 | STS (0.43) | BACE1ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL6976647 | 0.74 | STS (0.43) | BACE1ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL6976319 | 0.74 | STS (0.42) | BACE1ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL6973628 | 0.74 | STS (0.42) | BACE1ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL21505727 | 0.73 | BACE1 (0.54) | BACE1ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL6011006 | 0.73 | BACE1 (0.48) | BACE1ALDH1A1KDM4EHSD17B10HPGD |
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-2012061019-A2 | TRICYCLIC MGLUR5 RECEPTOR MODULATORS | MERCK SHARP & DOHME CORP. (US) | 2012-05-10 | — | — | WO | disclosed |