Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | DTYMK | P23919 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11669204 | 0.88 | PKM (0.47) | PKMALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11669542 | 0.83 | TDP1 (0.47) | PKMALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL5275541 | 0.81 | TSHR (0.44) | PKMALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL30752461 | 0.81 | TSHR (0.55) | PKMALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4536570 | 0.81 | TSHR (0.44) | PKMALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL29185998 | 0.81 | TSHR (0.55) | PKMALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL16602338 | 0.81 | TDP1 (0.42) | PKMALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL29193642 | 0.80 | CA1 (0.46) | PKMALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL29186004 | 0.80 | AKR1C2 (0.44) | PKMALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11669412 | 0.79 | TDP1 (0.41) | PKMALDH1A1CYP1A2CYP2D6CYP2C19 |
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-4002664-A | Manufacture of dimethylaminobenzenecarboxylic acid esters | BASF AKTIENGESELLSCHAFT (DT) | 1977-01-11 | — | — | US | disclosed |