Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 4/20 | 0.37 |
| ▸ | CTSS | P25774 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GRN | P28799 | 1/20 | 0.35 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28643149 | 1.00 | CYP2D6 (0.42) | CYP2D6CA2CA4ACEHDAC3 | |
| SCHEMBL30826518 | 0.87 | CYP2D6 (0.42) | CYP2D6HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL10076062 | 0.85 | CYP2D6 (0.41) | CYP2D6CA2HDAC3HDAC1HDAC2 | |
| SCHEMBL343678 | 0.83 | CYP2D6 (0.55) | CYP2D6CA2ACECTSKCTSS | |
| SCHEMBL13259810 | 0.83 | MAPT (0.48) | CYP2D6CA2ACEHDAC3HDAC1 | |
| SCHEMBL25192292 | 0.83 | MAPT (0.48) | CYP2D6CA2ACEHDAC3HDAC1 | |
| SCHEMBL3682214 | 0.83 | CYP2D6 (0.55) | CYP2D6CA2ACECTSKCTSS | |
| SCHEMBL343679 | 0.83 | CYP2D6 (0.55) | CYP2D6CA2ACECTSKCTSS | |
| SCHEMBL11912121 | 0.83 | MAPT (0.48) | CYP2D6CA2ACEHDAC3HDAC1 | |
| SCHEMBL14113279 | 0.83 | ACE (0.44) | CYP2D6CA2CA4ACEHDAC3 |
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-113416232-B | Polypeptide compounds with PD-1 receptor as target spot, preparation method and application thereof | 南通大学 | 2022-06-03 | — | — | CN | disclosed |
| CN-113416232-A | Polypeptide compounds with PD-1 receptor as target spot, preparation method and application thereof | 南通大学 | 2021-09-21 | — | — | CN | disclosed |