Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | BCHE | P06276 | 2/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.55 |
| ▸ | CCR3 | P51677 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.53 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | BACE1 | P56817 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL12658795 | 0.93 | BCHE (0.64) | ALDH1A1BCHECCR3CYP2D6CARM1 | |
| SCHEMBL8238364 | 0.88 | BCHE (0.70) | ALDH1A1BCHECCR3CYP2D6CARM1 | |
| SCHEMBL10684393 | 0.88 | BCHE (0.70) | ALDH1A1BCHECCR3CYP2D6CARM1 | |
| SCHEMBL7252204 | 0.84 | CARM1 (0.61) | ALDH1A1BCHECCR3CARM1PRMT6 | |
| Bromide SCHEMBL7247613 | 0.83 | CARM1 (0.60) | ALDH1A1BCHECCR3CARM1PRMT6 | |
| SCHEMBL23719076 | 0.82 | CCR3 (0.80) | ALDH1A1BCHECCR3CARM1PRMT6 | |
| SCHEMBL6218861 | 0.82 | CCR3 (0.80) | ALDH1A1BCHECCR3CARM1PRMT6 | |
| SCHEMBL8262506 | 0.82 | CCR3 (0.80) | ALDH1A1BCHECCR3CARM1PRMT6 | |
| SCHEMBL16924901 | 0.80 | CYP2D6 (0.56) | ALDH1A1BCHECCR3CYP2D6ACHE | |
| SCHEMBL2339356 | 0.80 | CYP2D6 (0.76) | ALDH1A1BCHESIGMAR1CYP2D6ACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-5190958-A | Fungicides | SHELL RESEARCH LIMITED (GB) | 1993-03-02 | — | — | US | disclosed |
| EP-0435387-A1 | Piperidine derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-07-03 | — | — | EP | disclosed |