Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL38651149 | 1.00 | ALDH1A1 (0.57) | ALDH1A1HPGDCYP2C19POLBMAPK1 | |
| SCHEMBL9165239 | 0.84 | ALDH1A1 (0.57) | ALDH1A1HPGDCYP2C19POLBMAPK1 | |
| SCHEMBL12130855 | 0.83 | ALDH1A1 (0.47) | ALDH1A1HPGDCYP2C19POLBMAPK1 | |
| SCHEMBL20246785 | 0.82 | ALDH1A1 (0.55) | ALDH1A1HPGDCYP2C19POLBMAPK1 | |
| SCHEMBL9808657 | 0.82 | ALDH1A1 (0.50) | ALDH1A1HPGDCYP2C19POLBMAPK1 | |
| SCHEMBL1096891 | 0.82 | GAA (0.50) | ALDH1A1POLBMAPK1SMN1; SMN2TSHR | |
| SCHEMBL6689158 | 0.80 | ALDH1A1 (0.74) | ALDH1A1HPGDCYP2C19POLBMAPK1 | |
| SCHEMBL28834477 | 0.79 | ALDH1A1 (0.52) | ALDH1A1HPGDCYP2C19POLBMAPK1 | |
| SCHEMBL8854145 | 0.79 | MDM4 (0.61) | ALDH1A1HPGDPOLBMAPK1SMN1; SMN2 | |
| SCHEMBL13652584 | 0.79 | ALDH1A1 (0.49) | ALDH1A1HPGDMAPK1SMN1; SMN2NPC1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1033389-C | Biocidal compositions | SHELL INT RESEARCH (NL) | 1996-11-27 | — | — | CN | disclosed |
| EP-0411716-B1 | Biocidal compositions | SHELL INT RESEARCH (NL) | 1995-03-22 | — | — | EP | disclosed |
| US-5387580-A | A phytopathogenic fungicides and nematocides | SHELL RESEARCH LIMITED (GB) | 1995-02-07 | — | — | US | disclosed |
| CN-1049154-A | Biocidal composition | SHELL INTERNATIONALE RESERRCH (NL) | 1991-02-13 | — | — | CN | disclosed |
| EP-0411716-A1 | Biocidal compositions | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-02-06 | — | — | EP | disclosed |