Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.54 |
| ▸ | BCR | P11274 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | XBP1 | P17861 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL22562829 | 0.84 | ABL1 (0.59) | ABL1BCRCYP3A4CYP2B6CYP1A2 | |
| SCHEMBL15397238 | 0.83 | ABL1 (0.54) | ABL1BCRCYP3A4CYP2B6CYP1A2 | |
| SCHEMBL9967714 | 0.82 | ABL1 (0.61) | ABL1BCRCYP3A4CYP2B6CYP1A2 | |
| SCHEMBL16372856 | 0.79 | ABL1 (0.80) | ABL1BCRCYP3A4CYP2B6CYP1A2 | |
| SCHEMBL17843663 | 0.79 | ABL1 (0.80) | ABL1BCRCYP3A4CYP2B6CYP1A2 | |
| SCHEMBL5016906 | 0.77 | TUBB1 (0.56) | ABL1BCRCYP3A4CYP2B6CYP1A2 | |
| SCHEMBL5016909 | 0.77 | TUBB1 (0.56) | ABL1BCRCYP3A4CYP2B6CYP1A2 | |
| SCHEMBL7522722 | 0.77 | ABL1 (0.51) | ABL1BCRCYP3A4CYP2B6CYP1A2 | |
| SCHEMBL15270084 | 0.77 | PKM (0.46) | ABL1BCRCYP3A4CYP2B6CYP1A2 | |
| SCHEMBL22917348 | 0.76 | ERN1 (0.49) | — |
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-0004522-B1 | NEW COMPOUNDS RELATED TO DILIGNOLS, COMPOUNDS RELATED TO DILIGNOLS FOR USE IN THE TREATMENT OF LIVER DESEASES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | PHARMACEUTICAL LICENCES COMPANY LTD. (CH) | 1982-06-23 | — | — | EP | disclosed |