Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.62 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | CDC25B | P30305 | 3/20 | 0.44 |
| ▸ | RHOA | P61586 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Phthalic Acid SCHEMBL23929049 | 0.95 | CYP3A4 (0.86) | CYP3A4ALDH1A1TSHRHSD17B10ALOX15 | |
| Benzene SCHEMBL7689916 | 0.95 | CYP3A4 (0.86) | CYP3A4ALDH1A1TSHRHSD17B10ALOX15 | |
| Phthalic Acid SCHEMBL710708 | 0.95 | CYP3A4 (0.86) | CYP3A4ALDH1A1TSHRHSD17B10ALOX15 | |
| Phthalic Acid SCHEMBL710707 | 0.95 | CYP3A4 (0.86) | CYP3A4ALDH1A1TSHRHSD17B10ALOX15 | |
| SCHEMBL87635 | 0.95 | CYP3A4 (0.86) | CYP3A4ALDH1A1TSHRHSD17B10ALOX15 | |
| Ammonia Solution, Strong SCHEMBL29144165 | 0.93 | CYP3A4 (0.83) | CYP3A4ALDH1A1TSHRHSD17B10ALOX15 | |
| Hydrochloric Acid SCHEMBL10627992 | 0.93 | CYP3A4 (0.83) | CYP3A4ALDH1A1TSHRHSD17B10ALOX15 | |
| Bicarbonate SCHEMBL20838539 | 0.93 | CYP3A4 (0.83) | CYP3A4ALDH1A1TSHRHSD17B10ALOX15 | |
| SCHEMBL28193530 | 0.93 | CYP3A4 (0.83) | CYP3A4ALDH1A1TSHRHSD17B10ALOX15 | |
| Naphthalene SCHEMBL28123359 | 0.90 | CYP3A4 (0.77) | CYP3A4ALDH1A1TSHRHSD17B10ALOX15 |
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 |