Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL509440 | 0.84 | KDM4E (0.58) | CYP3A4MEN1KMT2APOLBKDM4E | |
| SCHEMBL28666818 | 0.83 | GAA (0.46) | CYP3A4ACHEMEN1KMT2APOLB | |
| Water SCHEMBL28215001 | 0.82 | KDM4E (0.56) | CYP3A4MEN1KMT2APOLBKDM4E | |
| Hydrochloric Acid SCHEMBL2529687 | 0.82 | KDM4E (0.56) | CYP3A4MEN1KMT2APOLBKDM4E | |
| SCHEMBL2967307 | 0.80 | KDM4E (0.42) | CYP3A4MEN1KMT2APOLBKDM4E | |
| SCHEMBL6394892 | 0.80 | AKR1B1 (0.47) | CYP3A4MEN1KMT2APOLBKDM4E | |
| SCHEMBL7391397 | 0.80 | KDM4E (0.42) | CYP3A4MEN1KMT2APOLBKDM4E | |
| SCHEMBL6263548 | 0.78 | NPSR1 (0.55) | CYP3A4ACHEMEN1KMT2APOLB | |
| SCHEMBL2687552 | 0.78 | HTR1D (0.58) | CYP3A4POLBKDM4EMAPTCYP1A2 | |
| Hydrochloric Acid SCHEMBL26685499 | 0.78 | KDM4E (0.41) | CYP3A4MEN1KMT2APOLBKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0257378-B1 | PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 1991-07-03 | — | — | EP | disclosed |
| US-5010060-A | Method of treating herpes simplex viral infection employing pyrimidine derivatives | HOFFMANN-LA ROCHE INC. (US) | 1991-04-23 | — | — | US | disclosed |
| US-4851519-A | AMIDO NUCLEOSIDES, VIRICIDES | HOFFMANN-LA ROCHE INC. (US) | 1989-07-25 | — | — | US | disclosed |
| EP-0257378-A1 | Pyrimidine derivatives, their preparation and medicaments containing these derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1988-03-02 | — | — | EP | disclosed |