Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.39 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.30 |
| ▸ | CDK4 | P11802 | 1/20 | 0.30 |
| ▸ | CCND1 | P24385 | 1/20 | 0.30 |
| ▸ | CCND3 | P30281 | 1/20 | 0.30 |
| ▸ | CDK7 | P50613 | 1/20 | 0.30 |
| ▸ | CDK9 | P50750 | 1/20 | 0.30 |
| ▸ | CCNH | P51946 | 1/20 | 0.30 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9213804 | 1.00 | SMN1; SMN2 (0.43) | SMN1; SMN2CHRNA3CHRNA1CHRNA7CYP1A2 | |
| SCHEMBL9219737 | 0.93 | CHRNA1 (0.44) | SMN1; SMN2CHRNA3CHRNA1CHRNA7CHRNB2 | |
| SCHEMBL9219734 | 0.93 | CHRNA1 (0.44) | SMN1; SMN2CHRNA3CHRNA1CHRNA7CHRNB2 | |
| SCHEMBL9217910 | 0.81 | SMN1; SMN2 (0.46) | SMN1; SMN2CHRNA3CHRNA1CHRNA7CYP1A2 | |
| SCHEMBL9217916 | 0.81 | SMN1; SMN2 (0.46) | SMN1; SMN2CHRNA3CHRNA1CHRNA7CYP1A2 | |
| SCHEMBL6852000 | 0.81 | SMN1; SMN2 (0.63) | SMN1; SMN2CHRNA3CHRNA1CHRNA7CYP1A2 | |
| SCHEMBL6852003 | 0.81 | SMN1; SMN2 (0.63) | SMN1; SMN2CHRNA3CHRNA1CHRNA7CYP1A2 | |
| SCHEMBL9219085 | 0.81 | CHRNB2 (0.43) | SMN1; SMN2CHRNA3CHRNA1CHRNA7CYP1A2 | |
| SCHEMBL9219090 | 0.81 | CHRNB2 (0.43) | SMN1; SMN2CHRNA3CHRNA1CHRNA7CYP1A2 | |
| SCHEMBL28400518 | 0.77 | SMN1; SMN2 (0.41) | SMN1; SMN2CHRNA3CHRNA1CHRNA7CYP1A2 |
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-0369526-B1 | Nitromethylene compounds, their preparation and their use as pesticides | SHELL INT RESEARCH (NL) | 1995-07-26 | — | — | EP | disclosed |
| US-5039686-A | Insecticides | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1991-08-13 | — | — | US | disclosed |