Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM5A | P29375 | 2/20 | 0.35 |
| ▸ | KDM5B | Q9UGL1 | 2/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 4/20 | 0.33 |
| ▸ | MGLL | Q99685 | 2/20 | 0.31 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.30 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.30 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.30 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.30 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28645004 | 0.79 | KDM5A (0.33) | KDM5AKDM5BOPRL1 | |
| SCHEMBL14660835 | 0.75 | NUDT1 (0.49) | — | |
| SCHEMBL18328487 | 0.72 | OPRL1 (0.33) | OPRL1 | |
| SCHEMBL28664194 | 0.71 | KDM5A (0.35) | KDM5AKDM5B | |
| SCHEMBL29187777 | 0.71 | P2RX7 (0.32) | P2RX7OPRL1 | |
| SCHEMBL28456562 | 0.70 | OPRL1 (0.32) | OPRL1 | |
| SCHEMBL31184367 | 0.70 | OPRL1 (0.32) | OPRL1 | |
| SCHEMBL24983176 | 0.68 | OPRL1 (0.33) | OPRL1 | |
| SCHEMBL21287272 | 0.68 | KDM4E (0.38) | OPRL1 | |
| SCHEMBL29041433 | 0.68 | OPRL1 (0.34) | OPRL1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115052866-A | Crystal form of free base of nitrogen-containing heteroaromatic derivative | 上海翰森生物医药科技有限公司 | 2022-09-13 | — | — | CN | disclosed |
| CN-113493440-A | Salt of nitrogen-containing heteroaromatic derivative and crystal form thereof | 上海翰森生物医药科技有限公司 | 2021-10-12 | — | — | CN | disclosed |
| CN-111295374-A | Aza-containing aromatic derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2020-06-16 | — | — | CN | disclosed |