Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | MIF | P14174 | 2/20 | 0.46 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL620052 | 0.87 | ALDH1A1 (0.44) | ALDH1A1TSHRHPGDCYP3A4TRPA1 | |
| Propene SCHEMBL27566301 | 0.85 | ALDH1A1 (0.48) | ALDH1A1TSHRHPGDCYP3A4TRPA1 | |
| SCHEMBL1172136 | 0.84 | MIF (0.60) | ALDH1A1TSHRHPGDCYP3A4TRPA1 | |
| SCHEMBL1330511 | 0.84 | MIF (0.60) | ALDH1A1TSHRHPGDCYP3A4TRPA1 | |
| SCHEMBL5966 | 0.84 | MIF (0.60) | ALDH1A1TSHRHPGDCYP3A4TRPA1 | |
| SCHEMBL3628956 | 0.84 | TP53 (0.44) | ALDH1A1TSHRHPGDCYP3A4TRPA1 | |
| Hydrogen Sulfide SCHEMBL2772168 | 0.82 | MIF (0.58) | ALDH1A1TSHRHPGDCYP3A4TRPA1 | |
| Ammonia Solution, Strong SCHEMBL8901629 | 0.82 | MIF (0.58) | ALDH1A1TSHRHPGDCYP3A4TRPA1 | |
| Styrene SCHEMBL6703589 | 0.81 | ALDH1A1 (0.35) | ALDH1A1TSHRG6PC1GRIN1GRIN2B | |
| Formic Acid SCHEMBL1162337 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TSHRHPGDCYP3A4TRPA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0816310-A2 | Scavenger assisted combinatorial process for preparing libraries of tertiary amine compounds | ELI LILLY AND COMPANY (US) | 1998-01-07 | — | — | EP | disclosed |