Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL19969853 | 0.84 | HTR3A (0.42) | HTR3AKDM4ESMN1; SMN2TDP1ALDH1A1 | |
| SCHEMBL19068157 | 0.74 | AGTR1 (0.42) | HTR3AKDM4ESMN1; SMN2TDP1MAPT | |
| SCHEMBL17170668 | 0.70 | HTR3A (0.57) | HTR3AALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL17176479 | 0.67 | HTR3A (0.59) | HTR3ASMN1; SMN2ALDH1A1LMNAMAPT | |
| SCHEMBL5328061 | 0.64 | KDM4E (0.47) | KDM4ESMN1; SMN2TDP1ALDH1A1LMNA | |
| SCHEMBL2800361 | 0.62 | BACE1 (0.63) | KDM4ESMN1; SMN2TDP1ALDH1A1LMNA | |
| SCHEMBL29643235 | 0.62 | BACE1 (0.63) | KDM4ESMN1; SMN2TDP1ALDH1A1LMNA | |
| SCHEMBL17170620 | 0.61 | HTR3A (0.57) | HTR3AKDM4ESMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL21662937 | 0.60 | PTPN1 (0.35) | KDM4ELMNAMAPTMEN1KMT2A | |
| SCHEMBL11681291 | 0.60 | ALDH1A1 (0.53) | KDM4ESMN1; SMN2TDP1ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-9695195-B2 | 5-HT3 receptor antagonists | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-07-04 | — | — | US | disclosed |