Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.32 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.32 |
| ▸ | CACNB1 | Q02641 | 1/20 | 0.32 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10266053 | 0.88 | CYP1A2 (0.38) | KDM4ETP53CHRM3HTTALDH1A1 | |
| SCHEMBL15325041 | 0.83 | — | — | |
| SCHEMBL7143320 | 0.81 | EPHX1 (0.44) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL11606325 | 0.81 | EPHX1 (0.44) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL12913433 | 0.81 | EPHX1 (0.44) | KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL23334754 | 0.77 | TP53 (0.50) | KDM4ETP53CHRM3HTTALDH1A1 | |
| SCHEMBL18268273 | 0.73 | HRH3 (0.40) | ALDH1A1CYP2D6 | |
| SCHEMBL1109595 | 0.73 | KDM4E (0.36) | KDM4ETP53CHRM3HTTALDH1A1 | |
| SCHEMBL24267213 | 0.73 | EPHX1 (0.38) | KDM4ETP53CHRM3HTTALDH1A1 | |
| SCHEMBL27628591 | 0.71 | ALDH1A1 (0.37) | KDM4ECHRM3ALDH1A1CACNA2D1CACNA1B |
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 |
|---|---|---|---|---|---|---|---|
| EP-3816164-B9 | ISOTHIAZOLO[5,4-D]PYRIMIDINE COMPOUND AS IRAK4 INHIBITOR | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) | 2024-07-10 | — | — | EP | disclosed |