Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | F3 | P13726 | 1/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11045401 | 1.00 | ALDH1A1 (0.50) | ALDH1A1MAPTKDM4EHPGDCYP1A2 | |
| SCHEMBL11045919 | 0.84 | CYP2A6 (0.39) | MAPTHPGDCYP3A4TSHRCYP2A6 | |
| SCHEMBL11045363 | 0.84 | MEN1 (0.44) | ALDH1A1MAPTCYP1A2NPSR1TRPA1 | |
| SCHEMBL10881234 | 0.84 | MEN1 (0.44) | ALDH1A1MAPTCYP1A2NPSR1TRPA1 | |
| SCHEMBL11044689 | 0.82 | CYP2C9 (0.44) | ALDH1A1NPSR1TRPA1AKR1C3 | |
| SCHEMBL11044687 | 0.82 | CYP2C9 (0.44) | ALDH1A1NPSR1TRPA1AKR1C3 | |
| SCHEMBL11040960 | 0.77 | AKR1C3 (0.45) | ALDH1A1MAPTKDM4EAKR1C3 | |
| SCHEMBL10886960 | 0.77 | AKR1C3 (0.45) | ALDH1A1MAPTKDM4EAKR1C3 | |
| SCHEMBL11045403 | 0.76 | NR1I2 (0.45) | ALDH1A1MAPTKDM4EHPGDCYP1A2 | |
| SCHEMBL433921 | 0.72 | THRB (0.56) | ALDH1A1MAPTKDM4EHPGDCYP1A2 |
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-4473560-A | Diphosphonic acid derivatives and pharmaceutical preparations containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1984-09-25 | — | — | US | disclosed |