Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | HTT | P42858 | 3/20 | 0.34 |
| ▸ | CCR1 | P32246 | 2/20 | 0.34 |
| ▸ | CCR8 | P51685 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | MMP8 | P22894 | 1/20 | 0.34 |
| ▸ | THPO | P40225 | 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 | |
|---|---|---|---|---|
| SCHEMBL20181538 | 0.82 | TLR8 (0.50) | KDM4EHTTCCR1CCR8TP53 | |
| SCHEMBL9277705 | 0.81 | SGMS2 (0.36) | KDM4EHTTCCR1CCR8TP53 | |
| SCHEMBL24006105 | 0.77 | ELANE (0.36) | KDM4EHTTCCR1CCR8TP53 | |
| SCHEMBL18660657 | 0.71 | HTT (0.38) | NR4A2KDM4EHTTCCR1CCR8 | |
| SCHEMBL16901678 | 0.71 | ALDH1A1 (0.42) | NR4A2KDM4EHTTCCR1CCR8 | |
| SCHEMBL15966361 | 0.71 | HTT (0.42) | NR4A2KDM4EHTTCCR1CCR8 | |
| SCHEMBL128666 | 0.71 | ALDH1A1 (0.42) | KDM4EHTTCCR1CCR8TP53 | |
| SCHEMBL4862795 | 0.70 | CHRNB2 (0.42) | NR4A2KDM4EHTTTP53MAPT | |
| SCHEMBL4149836 | 0.68 | LOXL2 (0.64) | KDM4ESMN1; SMN2TDP1POLBCYP2A6 | |
| SCHEMBL2624387 | 0.68 | CCR1 (0.37) | KDM4EHTTCCR1CCR8TP53 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0824524-A1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | PHARMACIA & UPJOHN COMPANY (US) | 1998-02-25 | — | — | EP | disclosed |
| WO-1996035678-A1 | ALPHA-SUBSTITUTED PYRIMIDINE-THIOALKYL AND ALKYLETHER COMPOUNDS AS INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | PHARMACIA & UPJOHN COMPANY (US) | 1996-11-14 | — | — | WO | disclosed |