Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21739722 | 0.87 | ALDH1A1 (0.37) | KMT2ATSHRMAPTMEN1NPSR1 | |
| SCHEMBL21740217 | 0.86 | ALDH1A1 (0.53) | KMT2ATSHRMAPTALDH1A1PKM | |
| SCHEMBL21739173 | 0.80 | ALDH1A1 (0.55) | KMT2AMAPTMEN1ALDH1A1CYP3A4 | |
| SCHEMBL21740228 | 0.80 | PIM1 (0.37) | KMT2ATSHRMAPTMEN1NPSR1 | |
| SCHEMBL21739194 | 0.78 | RIPK1 (0.48) | KMT2AMAPTMEN1ALDH1A1CYP3A4 | |
| SCHEMBL21739537 | 0.77 | KMT2A (0.31) | KMT2ATSHRMAPTMEN1NPSR1 | |
| SCHEMBL22052776 | 0.77 | HRH3 (0.36) | KMT2AHTR2APKM | |
| SCHEMBL22052773 | 0.77 | KMT2A (0.33) | KMT2ATSHRMAPTMEN1NPSR1 | |
| SCHEMBL21739728 | 0.76 | HRH4 (0.43) | KMT2AALDH1A1 | |
| SCHEMBL27513720 | 0.76 | GAA (0.56) | KMT2AMAPTMEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020112872-A1 | METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 | Epizyme, Inc. (US) | 2020-06-04 | — | — | WO | disclosed |
| WO-2020037079-A1 | SUBSTITUTED INDOLES AND METHODS OF USE THEREOF | Epizyme, Inc. (US) | 2020-02-20 | — | — | WO | disclosed |