Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RAPGEF4 | Q8WZA2 | 3/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10815782 | 1.00 | TDP1 (0.42) | TDP1TP53CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL19101613 | 0.80 | TDP1 (0.42) | TDP1TP53CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL3855736 | 0.79 | TDP1 (0.46) | TDP1TP53CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL28366735 | 0.73 | ELANE (0.46) | TDP1TP53ALDH1A1KMT2AMEN1 | |
| SCHEMBL28982507 | 0.71 | TDP1 (0.52) | TDP1TP53CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL27512725 | 0.71 | ACHE (0.39) | TDP1CYP1A2CYP2A6ALDH1A1RAPGEF4 | |
| SCHEMBL27889982 | 0.70 | CYP3A4 (0.35) | TDP1ALDH1A1CYP3A4 | |
| SCHEMBL21042070 | 0.70 | HDAC7 (0.47) | TP53ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL3173914 | 0.70 | TDP1 (0.38) | TDP1TP53CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL6722506 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110872321-A | Diaryl phosphine oxide compound containing substituent group and preparation method thereof | 山东科技大学 | 2020-03-10 | — | — | CN | disclosed |
| CN-103958473-B | Amide compound, composition and application thereof | ADVINUS THERAPEUTICS LTD. (IN) | 2016-11-30 | — | — | CN | disclosed |