Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 9/20 | 0.39 |
| ▸ | HTR2C | P28335 | 8/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | PIKFYVE | Q9Y2I7 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| SCHEMBL23867581 | 0.80 | HTR2A (0.40) | HTR2AHTR2CMEN1MAPTKMT2A | |
| SCHEMBL23867482 | 0.76 | HRH3 (0.52) | HTR2AHTR2CMAPT | |
| SCHEMBL23867577 | 0.70 | HTR2A (0.51) | HTR2AHTR2C | |
| SCHEMBL23867522 | 0.67 | HTR2A (0.53) | HTR2AHTR2C | |
| SCHEMBL23867509 | 0.62 | CCNE1 (0.50) | MAPTLMNAROCK2 | |
| SCHEMBL23867477 | 0.62 | POLB (0.52) | MEN1MAPTKMT2ALMNANPSR1 | |
| SCHEMBL30234578 | 0.62 | POLB (0.52) | MEN1MAPTKMT2ALMNANPSR1 | |
| SCHEMBL23867511 | 0.61 | PYGM (0.53) | PKM | |
| SCHEMBL23867510 | 0.61 | HRH3 (0.52) | HTR2CMAPTROCK2 | |
| SCHEMBL23345480 | 0.60 | MAPT (0.85) | MEN1MAPTKMT2ALMNANPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021195279-A2 | SMALL MOLECULE INHIBITORS OF ONCOGENIC CHD1L WITH PRECLINICAL ACTIVITY AGAINST COLORECTAL CANCER | THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) | 2021-09-30 | — | — | WO | disclosed |