Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | PYGL | P06737 | 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 |
| ▸ | CPA3 | P15088 | 3/20 | 0.46 |
| ▸ | CPA1 | P15085 | 2/20 | 0.46 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.46 |
| ▸ | CPB1 | P15086 | 1/20 | 0.46 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.46 |
| ▸ | PPARG | P37231 | 2/20 | 0.45 |
| ▸ | PPARA | Q07869 | 2/20 | 0.45 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.44 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL23921568 | 0.87 | CYP1A2 (0.50) | CYP1A2PYGLALPIPKMPTGS1 | |
| SCHEMBL27906315 | 0.82 | SIGMAR1 (0.49) | CYP1A2PYGLALPIPKMPTGS1 | |
| SCHEMBL7440146 | 0.82 | ALDH1A1 (0.59) | CYP1A2PYGLALPIPKMPTGS1 | |
| SCHEMBL7442013 | 0.81 | CTRB1 (0.55) | CYP1A2PYGLALPIPKMPTGS1 | |
| SCHEMBL7434134 | 0.81 | CTRB1 (0.55) | CYP1A2PYGLALPIPKMPTGS1 | |
| SCHEMBL14570190 | 0.81 | PYGL (0.50) | CYP1A2PYGLALPIPKMPTGS1 | |
| SCHEMBL5648793 | 0.81 | SIGMAR1 (0.51) | CYP1A2PYGLALPIPKMPTGS1 | |
| SCHEMBL8758974 | 0.80 | CTRB1 (0.56) | PYGLNPC1RAB9A | |
| SCHEMBL7432804 | 0.80 | CTRB1 (0.56) | PYGLNPC1RAB9A | |
| SCHEMBL7433925 | 0.80 | CTRB1 (0.56) | PYGLNPC1RAB9A |
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-2005082362-A1 | THERAPEUTIC COMBINATIONS | PFIZER INC. (US) | 2005-09-09 | — | — | WO | disclosed |