Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29214552 | 0.97 | AKR1B1 (0.43) | AKR1B1HTR1AHSPA5KMT2ACYP2D6 | |
| SCHEMBL27863265 | 0.79 | AKR1B1 (0.48) | AKR1B1HTR1AHSPA5CYP2D6TSHR | |
| SCHEMBL7188596 | 0.78 | AKR1B1 (0.60) | AKR1B1HSPA5CYP2D6TSHRHIF1A | |
| SCHEMBL27960796 | 0.69 | AKR1B1 (0.54) | AKR1B1HTR1AHSPA5CYP2D6TSHR | |
| SCHEMBL27960780 | 0.69 | AKR1B1 (0.54) | AKR1B1HTR1AHSPA5CYP2D6TSHR | |
| SCHEMBL15483812 | 0.69 | HSPA5 (0.50) | AKR1B1HTR1AHSPA5KMT2ACYP2D6 | |
| SCHEMBL862811 | 0.68 | HSPA5 (0.54) | AKR1B1HTR1AHSPA5KMT2ACYP2D6 | |
| SCHEMBL31404242 | 0.68 | HSPA5 (0.54) | AKR1B1HTR1AHSPA5KMT2ACYP2D6 | |
| SCHEMBL10959440 | 0.67 | HTR1A (0.56) | HTR1AHSPA5CYP2D6TSHRHIF1A | |
| SCHEMBL1956074 | 0.66 | AKR1B1 (0.61) | AKR1B1HTR1AHSPA5CYP2D6TSHR |
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-115697994-B | Fused quinazoline derivative, preparation method thereof and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2024-08-13 | — | — | CN | disclosed |
| CN-115605479-B | Pyridopyrimidine derivatives, preparation method thereof and application thereof in medicines | 江苏恒瑞医药股份有限公司 | 2024-05-14 | — | — | CN | disclosed |