Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 3/20 | 0.56 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.56 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30762051 | 1.00 | ADRA2A (0.56) | ADRA2AADRA2BADRA2CHPGDMEN1 | |
| SCHEMBL3159038 | 0.74 | ADRA2A (0.61) | ADRA2AADRA2BADRA2CHPGDNPC1 | |
| SCHEMBL11094429 | 0.73 | GRIN2B (0.57) | NPC1 | |
| SCHEMBL5075641 | 0.73 | GRIN2B (0.63) | HPGDNPC1CYP3A4ALDH1A1 | |
| SCHEMBL3625002 | 0.72 | ADRA2A (0.50) | ADRA2AADRA2BADRA2CHPGDMEN1 | |
| SCHEMBL28276181 | 0.70 | NPC1 (0.50) | ADRA2AADRA2BADRA2CHPGDMEN1 | |
| SCHEMBL28232903 | 0.70 | NPC1 (0.50) | ADRA2AADRA2BADRA2CHPGDMEN1 | |
| SCHEMBL13667796 | 0.70 | — | — | |
| SCHEMBL1515733 | 0.69 | HPGD (0.57) | HPGDMEN1NPC1KMT2ACYP2C19 | |
| SCHEMBL31538846 | 0.69 | ADRA2A (0.47) | ADRA2AADRA2BADRA2CHPGDMEN1 |
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-110128233-A | Preparation method of deuterated alcohol or amine compound | 南京工业大学 | 2019-08-16 | — | — | CN | claimed |
| CN-115947694-A | Preparation method of dihydroquinazoline compound | 云南大学 | 2023-04-11 | — | — | CN | disclosed |