Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11123663 | 0.73 | NPC1 (0.58) | HTTSMN1; SMN2KMT2AFAAHMGLL | |
| SCHEMBL6362551 | 0.71 | P2RX7 (0.60) | SMN1; SMN2KMT2AP2RX7CYP1A2MAPT | |
| SCHEMBL21484075 | 0.70 | POLB (0.59) | SMN1; SMN2KMT2AP2RX7LMNAMEN1 | |
| SCHEMBL30460642 | 0.70 | GHSR (0.45) | SMN1; SMN2KMT2AFAAHMGLLMEN1 | |
| SCHEMBL12820520 | 0.70 | EPHX1 (0.61) | HTTSMN1; SMN2EPHX1HDAC3HDAC1 | |
| SCHEMBL6356852 | 0.70 | P2RX7 (0.59) | SMN1; SMN2KMT2AP2RX7MAPT | |
| SCHEMBL10817282 | 0.69 | EPHX1 (0.71) | HTTSMN1; SMN2EPHX1HDAC3HDAC1 | |
| SCHEMBL4094382 | 0.69 | ALDH1A1 (0.62) | SMN1; SMN2EPHX1HDAC3HDAC1HDAC2 | |
| SCHEMBL2866869 | 0.68 | EPHX1 (0.65) | HTTSMN1; SMN2EPHX1HDAC3HDAC1 | |
| SCHEMBL28787337 | 0.68 | HDAC1 (0.50) | SMN1; SMN2EPHX1HDAC3HDAC1HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023090853-A1 | NOVEL UREA-BASED OR CARBAMATE-BASED P2X7 RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING MAJOR DEPRESSIVE DISORDER, COMPRISING SAME AS ACTIVE INGREDIENT | 고려대학교 세종산학협력단 | 2023-05-25 | — | — | WO | disclosed |