Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 2/20 | 0.35 |
| ▸ | CASP7 | P55210 | 2/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 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 | |
|---|---|---|---|---|
| SCHEMBL11923274 | 0.84 | MAPT (0.47) | KMT2AHTR2AMAPTSMN1; SMN2LMNA | |
| SCHEMBL8267741 | 0.82 | PTPN11 (0.30) | — | |
| SCHEMBL8265879 | 0.82 | TACR1 (0.41) | KMT2AHTR2ASMN1; SMN2LMNATP53 | |
| SCHEMBL8267716 | 0.78 | AGER (0.40) | KMT2ALMNATSHRCYP3A4CASP1 | |
| SCHEMBL11923290 | 0.75 | TACR1 (0.50) | KMT2AHTR2AMAPTSMN1; SMN2LMNA | |
| SCHEMBL8266011 | 0.75 | MAPT (0.47) | KMT2AHTR2AMAPTSMN1; SMN2LMNA | |
| SCHEMBL11923193 | 0.75 | ALDH1A1 (0.43) | MAPTLMNAOPRM1ALDH1A1KDM4E | |
| SCHEMBL11923238 | 0.74 | TACR1 (0.43) | OPRM1ALDH1A1 | |
| SCHEMBL8268303 | 0.74 | PTPN11 (0.40) | — | |
| SCHEMBL8266161 | 0.73 | TACR1 (0.44) | MAPTSMN1; SMN2LMNAALDH1A1 |
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-2006050476-A2 | PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2006-05-11 | — | — | WO | disclosed |