Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5880402 | 0.78 | TRPM8 (0.50) | GAAKMT2AMEN1POLBALDH1A1 | |
| SCHEMBL28100021 | 0.77 | ACHE (0.46) | ACHEGAAPOLBCYP3A4ALDH1A1 | |
| 4-Nitrotoluene SCHEMBL9037550 | 0.75 | ACHE (0.82) | HSD17B10ACHEKMT2AMEN1POLB | |
| 4-Nitrotoluene SCHEMBL30483931 | 0.75 | ACHE (0.82) | HSD17B10ACHEKMT2AMEN1POLB | |
| 4-Nitrotoluene SCHEMBL28795853 | 0.75 | HSD17B10 (0.90) | HSD17B10ACHEKMT2AMEN1POLB | |
| 4-Nitrotoluene SCHEMBL5047811 | 0.75 | ACHE (0.90) | HSD17B10ACHEKMT2AMEN1POLB | |
| 4-Nitrotoluene SCHEMBL2484690 | 0.75 | ACHE (1.00) | HSD17B10ACHEKMT2AMAOAMAOB | |
| 4-Nitrotoluene SCHEMBL73252 | 0.75 | ACHE (1.00) | HSD17B10ACHEKMT2AMAOAMAOB | |
| 4-Nitrotoluene SCHEMBL28384838 | 0.73 | ACHE (0.86) | HSD17B10ACHEKMT2AMEN1POLB | |
| 4-Nitrotoluene SCHEMBL6751959 | 0.73 | ACHE (0.95) | HSD17B10ACHEKMT2AMEN1POLB |
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-105884699-A | 4-substituted anilinoquinazoline derivatives, and preparation method and application thereof | 中国药科大学 | 2016-08-24 | — | — | CN | disclosed |