Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22879290 | 0.91 | BCHE (0.39) | NOTUMMEN1KMT2AMAPTKDM4E | |
| SCHEMBL21311806 | 0.81 | SRD5A1 (0.41) | NOTUMMEN1KMT2AMAPTKDM4E | |
| SCHEMBL24119454 | 0.79 | KMT2A (0.41) | NOTUMMEN1KMT2AMAPTKDM4E | |
| SCHEMBL24119423 | 0.78 | MEN1 (0.35) | NOTUMMEN1KMT2AMAPTKDM4E | |
| SCHEMBL22879479 | 0.77 | TSHR (0.37) | NOTUMMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL21312000 | 0.72 | P2RX4 (0.35) | MAPTKDM4EALDH1A1 | |
| SCHEMBL21311764 | 0.71 | KMT2A (0.57) | NOTUMMEN1KMT2AMAPTKDM4E | |
| SCHEMBL21312010 | 0.70 | NPC1 (0.38) | MEN1KMT2AALDH1A1CYP3A4SRD5A1 | |
| SCHEMBL30642100 | 0.70 | NOTUM (0.56) | NOTUMKMT2AHPGDDDB1CRBN | |
| SCHEMBL1459983 | 0.70 | NOTUM (0.56) | NOTUMKMT2AHPGDDDB1CRBN |
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-2019161781-A1 | RECEPTOR ANTAGONIST, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USAGE THEREOF | 北京泰德制药股份有限公司 | 2019-08-29 | — | — | WO | disclosed |