Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PRCP | P42785 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 4/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17120414 | 0.81 | MEN1 (0.51) | MEN1CYP3A4CYP2D6KMT2AHTR2A | |
| SCHEMBL26201345 | 0.81 | MEN1 (0.51) | MEN1CYP3A4CYP2D6KMT2AHTR2A | |
| SCHEMBL17121746 | 0.81 | MEN1 (0.51) | MEN1CYP3A4CYP2D6KMT2AHTR2A | |
| SCHEMBL24469640 | 0.78 | CCNA2 (0.34) | CYP2D6PRCPCHRNB2CHRNA4DRD2 | |
| SCHEMBL19158572 | 0.78 | MEN1 (0.49) | MEN1CYP3A4CYP2D6KMT2AHTR2A | |
| SCHEMBL29570896 | 0.77 | MEN1 (0.51) | MEN1CYP3A4CYP2D6KMT2AHTR2A | |
| SCHEMBL2264568 | 0.77 | MEN1 (0.51) | MEN1CYP3A4CYP2D6KMT2AHTR2A | |
| SCHEMBL23308861 | 0.77 | MEN1 (0.47) | MEN1CYP3A4CYP2D6KMT2AHTR2A | |
| SCHEMBL26344603 | 0.77 | HTR2A (0.49) | MEN1CYP3A4CYP2D6KMT2AHTR2A | |
| SCHEMBL11846170 | 0.75 | MEN1 (0.46) | MEN1CYP3A4CYP2D6KMT2AHTR2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023072297-A1 | NITROGEN-CONTAINING TETRACYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2023-05-04 | — | — | WO | disclosed |
| WO-2023066371-A1 | NITROGEN-CONTAINING TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2023-04-27 | — | — | WO | disclosed |
| WO-2023011581-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF | 江苏恒瑞医药股份有限公司 | 2023-02-09 | — | — | WO | disclosed |
| WO-2022111498-A1 | PYRIMIDINEDIONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2022-06-02 | — | — | WO | disclosed |