Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 8/20 | 0.46 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.41 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20165985 | 0.82 | CHRNB2 (0.47) | MMP8ABCB1ALDH1A1CHRNB2CHRNB4 | |
| SCHEMBL11990750 | 0.80 | CHRNB2 (0.54) | MMP8ALDH1A1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL16681724 | 0.79 | CHRNB2 (0.53) | KCNA5ALDH1A1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL9995389 | 0.79 | CHRNB2 (0.53) | KCNA5ALDH1A1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL27494275 | 0.76 | CHRNB2 (0.42) | MMP8ALDH1A1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL28142726 | 0.75 | KCNA5 (0.45) | KCNA5MMP8ALDH1A1KMT2A | |
| SCHEMBL28482826 | 0.74 | CHRNB2 (0.48) | MMP8ALDH1A1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL13395851 | 0.73 | KCNA5 (0.48) | KCNA5ALDH1A1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL12473253 | 0.72 | KCNA5 (0.65) | KCNA5ALDH1A1KMT2ATSHR | |
| SCHEMBL20165515 | 0.72 | ALDH1A1 (0.49) | MMP8ALDH1A1CHRNB2CHRNB4CHRNA3 |
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-5114461-A | Herbicides | MAY & BAKER LIMITED (GB) | 1992-05-19 | — | — | US | disclosed |
| EP-0278742-A2 | Cyclic diones | MAY & BAKER LIMITED (GB) | 1988-08-17 | — | — | EP | disclosed |