Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 6/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 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 | |
|---|---|---|---|---|
| SCHEMBL25195678 | 0.84 | PKM (0.45) | P2RX7KMT2APOLBSMN1; SMN2MEN1 | |
| SCHEMBL5477278 | 0.82 | KMT2A (0.58) | P2RX7KMT2APOLBLMNAHTT | |
| SCHEMBL25218628 | 0.81 | NPSR1 (0.51) | P2RX7KMT2AEPHX2SMN1; SMN2MEN1 | |
| SCHEMBL27196377 | 0.78 | POLB (0.70) | KMT2ATDP1POLBLMNAHTT | |
| SCHEMBL7437717 | 0.78 | DGAT1 (0.47) | KMT2APOLBMEN1RECQLNPSR1 | |
| SCHEMBL25198233 | 0.77 | NPC1 (0.53) | P2RX7KMT2ATDP1POLBEPHX2 | |
| SCHEMBL25203080 | 0.75 | EPHX2 (0.46) | P2RX7KMT2AEPHX2MEN1NPSR1 | |
| SCHEMBL25210763 | 0.75 | KMT2A (0.48) | P2RX7KMT2ATDP1POLBMEN1 | |
| SCHEMBL5459563 | 0.75 | ALDH1A1 (0.55) | P2RX7KMT2ATDP1EPHX2LMNA | |
| SCHEMBL25204797 | 0.75 | P2RX7 (0.56) | P2RX7 |
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 |