Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | PKLR | P30613 | 1/20 | 0.39 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL254224 | 0.84 | — | — | |
| SCHEMBL1199464 | 0.82 | SLC40A1 (0.43) | TP53ACHEPKMPKLRSLC40A1 | |
| Bromide SCHEMBL28030865 | 0.81 | ACHE (0.50) | TP53ACHECES2CES1ESR1 | |
| SCHEMBL28038875 | 0.80 | ACHE (0.40) | TP53ACHECES2CES1ESR1 | |
| SCHEMBL27534125 | 0.79 | CES2 (0.46) | PKMPKLRCES2CES1PSIP1 | |
| SCHEMBL791706 | 0.78 | ALDH1A1 (0.46) | ACHEPKMPKLRCES2CES1 | |
| Nitrogen SCHEMBL10700884 | 0.78 | ACHE (0.48) | TP53ACHECES2CES1ESR1 | |
| SCHEMBL995202 | 0.78 | ACHE (0.71) | ACHESMN1; SMN2PSIP1ALDH1A1TDP1 | |
| SCHEMBL4126976 | 0.76 | SLC40A1 (0.45) | TP53ACHEPKMPKLRSLC40A1 | |
| Formic Acid SCHEMBL27541441 | 0.75 | ERN1 (0.45) | TP53ACHECES2CES1ESR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997046207-A2 | AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS | CORVAS INTERNATIONAL, INC. (US) | 1997-12-11 | — | — | WO | disclosed |