Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNMT1 | P26358 | 6/20 | 0.54 |
| ▸ | TK1 | P04183 | 2/20 | 0.53 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.53 |
| ▸ | DNMT3B | Q9UBC3 | 2/20 | 0.49 |
| ▸ | FPR2 | P25090 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | PNP | P00491 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Ibacitabine SCHEMBL21423094 | 0.91 | DNMT1 (0.63) | DNMT1TK1ADRB1DNMT3BFPR2 | |
| Ibacitabine SCHEMBL225403 | 0.91 | DNMT1 (0.63) | DNMT1TK1ADRB1DNMT3BFPR2 | |
| Ibacitabine SCHEMBL225402 | 0.91 | DNMT1 (0.63) | DNMT1TK1ADRB1DNMT3BFPR2 | |
| Ibacitabine SCHEMBL244921 | 0.91 | DNMT1 (0.63) | DNMT1TK1ADRB1DNMT3BFPR2 | |
| Ibacitabine SCHEMBL13812993 | 0.91 | DNMT1 (0.63) | DNMT1TK1ADRB1DNMT3BFPR2 | |
| Ibacitabine SCHEMBL887475 | 0.91 | DNMT1 (0.63) | DNMT1TK1ADRB1DNMT3BFPR2 | |
| Ibacitabine SCHEMBL5981939 | 0.91 | DNMT1 (0.63) | DNMT1TK1ADRB1DNMT3BFPR2 | |
| Ibacitabine SCHEMBL5981937 | 0.91 | DNMT1 (0.63) | DNMT1TK1ADRB1DNMT3BFPR2 | |
| SCHEMBL1635376 | 0.83 | DNMT1 (0.52) | DNMT1TK1ADRB1DNMT3BFPR2 | |
| SCHEMBL1635378 | 0.83 | DNMT1 (0.52) | DNMT1TK1ADRB1DNMT3BFPR2 |
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-1992020816-A1 | DETERMINATION OF PRODRUGS METABOLIZABLE BY THE LIVER AND THERAPEUTIC USE THEREOF | YALE UNIVERSITY (US) | 1992-11-26 | — | — | WO | disclosed |