Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | CPT2 | P23786 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9004549 | 0.82 | STAT3 (0.33) | HMGCRCHRM1TBXA2RADRA1ATSHR | |
| SCHEMBL11921840 | 0.80 | HTT (0.33) | — | |
| SCHEMBL13105063 | 0.80 | HMGCR (0.35) | HMGCRCHRM1TBXA2RADRA1ACYP2D6 | |
| SCHEMBL20937487 | 0.78 | HPGD (0.32) | — | |
| SCHEMBL25933609 | 0.76 | ALDH1A1 (0.33) | TSHRTDP1 | |
| SCHEMBL14278411 | 0.71 | TDP1 (0.33) | TSHRTDP1 | |
| SCHEMBL12168623 | 0.70 | — | — | |
| SCHEMBL10586612 | 0.70 | — | — | |
| SCHEMBL11979153 | 0.70 | — | — | |
| SCHEMBL2454303 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101835771-A | Aminobenzyl-substituted cyclic sulfones useful as bace inhibitors | NOVARTIS AG | 2010-09-15 | — | — | CN | disclosed |
| CN-101490018-A | Macrocyclic compounds useful as BACE inhibitors | NOVARTIS AG (CH) | 2009-07-22 | — | — | CN | disclosed |
| CN-101351455-A | Macrocyclic compounds useful as BACE inhibitors | NOVARTIS AG (CH) | 2009-01-21 | — | — | CN | disclosed |