Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 17/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 12/20 | 1.00 |
| ▸ | HTR2C | P28335 | 11/20 | 1.00 |
| ▸ | DRD2 | P14416 | 7/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL8524411 | 0.89 | HTR2A (0.81) | HTR2AKCNH2HTR2CDRD2 | |
| SCHEMBL8524538 | 0.84 | HTR2A (0.84) | HTR2AKCNH2HTR2CDRD2 | |
| SCHEMBL18503045 | 0.84 | HTR2A (0.72) | HTR2AKCNH2HTR2CDRD2 | |
| SCHEMBL11821618 | 0.83 | HTR2A (0.74) | HTR2AKCNH2HTR2CDRD2 | |
| SCHEMBL31060925 | 0.82 | HTR2A (1.00) | HTR2AKCNH2HTR2CDRD2 | |
| SCHEMBL7962369 | 0.82 | HTR2A (1.00) | HTR2AKCNH2HTR2CDRD2 | |
| SCHEMBL28465778 | 0.81 | HTR2A (0.81) | HTR2AKCNH2HTR2CDRD2 | |
| SCHEMBL8524754 | 0.78 | HTR2A (1.00) | HTR2AKCNH2HTR2CDRD2 | |
| SCHEMBL8524469 | 0.75 | HTR2A (1.00) | HTR2AKCNH2HTR2CDRD2 | |
| SCHEMBL8524964 | 0.75 | HTR2A (1.00) | HTR2AKCNH2HTR2CDRD2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999047511-A1 | INDOLE DERIVATIVES AS 5-HT2A RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1999-09-23 | — | — | WO | claimed |
| US-20230349886-A1 | SYSTEMS AND METHODS FOR PREDICTING CARDIOTOXICITY OF MOLECULAR PARAMETERS OF A COMPOUND BASED ON MACHINE LEARNING ALGORITHMS | UTI LP (CA) | 2023-11-02 | — | — | US | disclosed |
| US-20230349886-A1 | SYSTEMS AND METHODS FOR PREDICTING CARDIOTOXICITY OF MOLECULAR PARAMETERS OF A COMPOUND BASED ON MACHINE LEARNING ALGORITHMS | UTI LP (CA) | 2023-11-02 | — | — | US | disclosed |
| US-20180172667-A1 | SYSTEMS AND METHODS FOR PREDICTING CARDIOTOXICITY OF MOLECULAR PARAMETERS OF A COMPOUND BASED ON MACHINE LEARNING ALGORITHMS | UTI LP (CA) | 2018-06-21 | — | — | US | disclosed |
| WO-1999047511-A1 | INDOLE DERIVATIVES AS 5-HT2A RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1999-09-23 | — | — | WO | disclosed |