Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CPA1 | P15085 | 6/20 | 0.50 |
| ▸ | CPA3 | P15088 | 3/20 | 0.50 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.50 |
| ▸ | CPB1 | P15086 | 1/20 | 0.50 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.50 |
| ▸ | ALPI | P09923 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
| ▸ | XIAP | P98170 | 1/20 | 0.48 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.48 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.46 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.46 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6554002 | 0.90 | CYP1A2 (0.50) | CYP1A2ALDH1A1CPA1CPA3FOLH1 | |
| SCHEMBL9848631 | 0.88 | CYP1A2 (0.65) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL5547318 | 0.84 | ALPI (0.61) | ALDH1A1ALPIPKMPTGS1XIAP | |
| SCHEMBL28230064 | 0.84 | ALDH1A1 (0.52) | CYP1A2ALDH1A1ALPIPKMPTGS1 | |
| SCHEMBL13087400 | 0.84 | ALPI (0.61) | ALDH1A1ALPIPKMPTGS1XIAP | |
| SCHEMBL475980 | 0.84 | ALPI (0.61) | ALDH1A1ALPIPKMPTGS1XIAP | |
| Isobutylbenzene SCHEMBL20263050 | 0.79 | PTGS1 (0.50) | CYP1A2ALDH1A1ALPIPKMPTGS1 | |
| SCHEMBL8106533 | 0.79 | CYP1A2 (0.59) | CYP1A2ALDH1A1CPA1CPA3FOLH1 | |
| SCHEMBL10521821 | 0.79 | MMP8 (0.61) | CYP1A2ALDH1A1CPA1CPA3FOLH1 | |
| SCHEMBL8701664 | 0.79 | CYP1A2 (0.63) | CYP1A2ALDH1A1CPA1CPA3FOLH1 |
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-0438873-A1 | Inhibitor of ribonucleotide reductase of herpes viruses | MERCK & CO. INC. (US) | 1991-07-31 | — | — | EP | disclosed |