Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALB | P02768 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 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 | |
|---|---|---|---|---|
| SCHEMBL466032 | 0.81 | CA2 (0.48) | ALDH1A1MAPTHPGDSMN1; SMN2NPSR1 | |
| SCHEMBL28917048 | 0.79 | CA2 (0.52) | ALDH1A1TSHRCA2 | |
| M-Xylene SCHEMBL27636846 | 0.76 | ACHE (0.40) | ALDH1A1MAPTHPGDKDM4EC5AR1 | |
| SCHEMBL2985516 | 0.74 | — | — | |
| Toluene SCHEMBL27962775 | 0.73 | LMNA (0.46) | ALDH1A1CYP2C9CYP3A4CYP2C19MAPT | |
| SCHEMBL15367580 | 0.71 | TSHR (0.42) | ALDH1A1TSHRCA2 | |
| SCHEMBL3626870 | 0.69 | CTSK (0.59) | ALDH1A1CYP2C9CYP3A4CYP2C19MAPT | |
| SCHEMBL2548723 | 0.69 | CTSK (0.59) | ALDH1A1CYP2C9CYP3A4CYP2C19MAPT | |
| SCHEMBL3013104 | 0.69 | ALDH1A1 (0.80) | ALDH1A1CYP2C9CYP3A4CYP2C19MAPT | |
| Propene SCHEMBL27941135 | 0.69 | ALDH1A1 (0.46) | ALDH1A1MAPTHPGDSMN1; SMN2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101300260-A | Method for synthesizing spiro quaternary ammonium systems | HONEYWELL INT INC (US) | 2008-11-05 | — | — | CN | disclosed |