Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.50 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.50 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.50 |
| ▸ | ALPI | P09923 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | XIAP | P98170 | 1/20 | 0.50 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.50 |
| ▸ | CPA3 | P15088 | 3/20 | 0.47 |
| ▸ | CPA1 | P15085 | 3/20 | 0.47 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.47 |
| ▸ | CPB1 | P15086 | 1/20 | 0.47 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.47 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.46 |
| ▸ | MME | P08473 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL8370904 | 1.00 | CYP1A2 (0.53) | CYP1A2SLC1A3SLC1A2SLC1A1ALPI | |
| SCHEMBL31723949 | 0.86 | CYP1A2 (0.55) | CYP1A2SLC1A3SLC1A2SLC1A1ALPI | |
| SCHEMBL157789 | 0.84 | CYP1A2 (0.57) | CYP1A2SLC1A3SLC1A2SLC1A1ALPI | |
| SCHEMBL2466759 | 0.84 | CYP1A2 (0.57) | CYP1A2SLC1A3SLC1A2SLC1A1ALPI | |
| SCHEMBL157788 | 0.84 | CYP1A2 (0.57) | CYP1A2SLC1A3SLC1A2SLC1A1ALPI | |
| SCHEMBL25196840 | 0.83 | CYP1A2 (0.52) | CYP1A2SLC1A3SLC1A2SLC1A1ALPI | |
| SCHEMBL9437347 | 0.83 | CYP1A2 (0.52) | CYP1A2SLC1A3SLC1A2SLC1A1ALPI | |
| SCHEMBL21461886 | 0.83 | CYP1A2 (0.52) | CYP1A2SLC1A3SLC1A2SLC1A1ALPI | |
| SCHEMBL21461885 | 0.83 | CYP1A2 (0.52) | CYP1A2SLC1A3SLC1A2SLC1A1ALPI | |
| Ammonia Solution, Strong SCHEMBL8346946 | 0.82 | CYP1A2 (0.55) | CYP1A2SLC1A3SLC1A2SLC1A1ALPI |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0892812-A2 | AGONIST PEPTIDE DIMERS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1999-01-27 | — | — | EP | disclosed |
| WO-1996040772-A9 | AGONIST PEPTIDE DIMERS | — | 1997-02-06 | — | — | WO | disclosed |
| WO-1996040772-A2 | AGONIST PEPTIDE DIMERS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-12-19 | — | — | WO | disclosed |