Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.46 |
| ▸ | CDC25B | P30305 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Terephthalic Acid SCHEMBL27490081 | 0.94 | CYP3A4 (0.80) | CYP3A4ALDH1A1TSHRHSD17B10L3MBTL1 | |
| SCHEMBL253535 | 0.92 | CYP3A4 (0.77) | CYP3A4ALDH1A1TSHRHSD17B10L3MBTL1 | |
| SCHEMBL8665105 | 0.88 | CYP3A4 (0.61) | CYP3A4ALDH1A1TSHRHSD17B10L3MBTL1 | |
| SCHEMBL11125722 | 0.87 | CYP3A4 (0.69) | CYP3A4ALDH1A1TSHRHSD17B10L3MBTL1 | |
| SCHEMBL11485979 | 0.87 | CYP3A4 (0.69) | CYP3A4ALDH1A1TSHRHSD17B10L3MBTL1 | |
| SCHEMBL8666516 | 0.86 | CYP3A4 (0.77) | CYP3A4ALDH1A1TSHRHSD17B10L3MBTL1 | |
| Phthalic Acid SCHEMBL23929049 | 0.84 | CYP3A4 (0.86) | CYP3A4ALDH1A1TSHRHSD17B10L3MBTL1 | |
| Phthalic Acid SCHEMBL710707 | 0.84 | CYP3A4 (0.86) | CYP3A4ALDH1A1TSHRHSD17B10L3MBTL1 | |
| Benzene SCHEMBL7689916 | 0.84 | CYP3A4 (0.86) | CYP3A4ALDH1A1TSHRHSD17B10L3MBTL1 | |
| SCHEMBL87635 | 0.84 | CYP3A4 (0.86) | CYP3A4ALDH1A1TSHRHSD17B10L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0880503-A1 | BALANOL ANALOGUES | Phytera Symbion ApS (DK) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997029091-A1 | BALANOL ANALOGUES | PHYTERA SYMBION APS (DK) | 1997-08-14 | — | — | WO | disclosed |