Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.59 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.55 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.55 |
| ▸ | NFE2L2 | Q16236 | 5/20 | 0.51 |
| ▸ | SNCA | P37840 | 2/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 3/20 | 0.48 |
| ▸ | MAOB | P27338 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.46 |
| ▸ | TUBB | P07437 | 1/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29227737 | 0.87 | BACE1 (0.61) | BACE1SLC6A3NFE2L2SNCACYP1A2 | |
| SCHEMBL2658197 | 0.87 | BACE1 (0.61) | BACE1SLC6A3NFE2L2SNCACYP1A2 | |
| SCHEMBL30423635 | 0.87 | BACE1 (0.61) | BACE1SLC6A3NFE2L2SNCACYP1A2 | |
| SCHEMBL2658196 | 0.87 | BACE1 (0.61) | BACE1SLC6A3NFE2L2SNCACYP1A2 | |
| SCHEMBL69552 | 0.85 | BACE1 (0.60) | BACE1SLC6A4SLC6A3TSHRALDH1A1 | |
| SCHEMBL69553 | 0.85 | BACE1 (0.60) | BACE1SLC6A4SLC6A3TSHRALDH1A1 | |
| SCHEMBL9375045 | 0.85 | BACE1 (0.59) | BACE1SLC6A3SNCACYP1A2CYP2C19 | |
| SCHEMBL29054162 | 0.85 | BACE1 (0.59) | BACE1SLC6A4SLC6A3SNCACYP1A2 | |
| SCHEMBL5332771 | 0.85 | BACE1 (0.59) | BACE1NFE2L2SNCACYP2C19CYP2D6 | |
| SCHEMBL9375048 | 0.85 | BACE1 (0.59) | BACE1SLC6A3SNCACYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102307872-A | BCL-2-selectively apoptosis-inducing agents for the treatment of cancer and immune diseases | ABBOTT LAB | 2012-01-04 | — | — | CN | disclosed |
| CN-102282129-A | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | — | 2011-12-14 | — | — | CN | disclosed |