Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 2/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27851767 | 0.85 | TSHR (0.59) | ACHETSHRMAPTKDM4EUSP2 | |
| SCHEMBL11861840 | 0.83 | TSHR (0.61) | ACHETSHRMAPTKDM4EUSP2 | |
| Hydrochloric Acid SCHEMBL27833742 | 0.83 | TSHR (0.57) | ACHETSHRMAPTKDM4EUSP2 | |
| SCHEMBL1524562 | 0.80 | MAPT (0.44) | ACHETSHRMAPTKDM4EUSP2 | |
| SCHEMBL11843347 | 0.75 | USP2 (0.44) | ACHETSHRMAPTKDM4EUSP2 | |
| SCHEMBL11852623 | 0.69 | CHRM2 (0.41) | CYP1A2TSHRMAPTKDM4EUSP2 | |
| SCHEMBL31392794 | 0.68 | ACHE (0.49) | ACHECYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL13715285 | 0.66 | MAOA (0.58) | CYP2C9TSHRMAPTUSP2MAOA | |
| SCHEMBL8088583 | 0.66 | TSHR (0.48) | ACHETSHRMAPTKDM4EUSP2 | |
| SCHEMBL19458502 | 0.65 | MAOA (0.64) | CYP2C9TSHRMAPTUSP2MAOA |
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 |
|---|---|---|---|---|---|---|---|
| CN-102307878-A | 3, 6-disubstituted xanthylium salts | WISTA LAB LTD | 2012-01-04 | — | — | CN | disclosed |