Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.48 |
| ▸ | CASP3 | P42574 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.43 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.42 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.42 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.42 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | GLS | O94925 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL11305959 | 0.78 | CASP3 (0.45) | CASP3MEN1KMT2AALDH1A1PKM | |
| SCHEMBL2903922 | 0.76 | CYP1B1 (0.43) | CYP1B1CASP3MEN1KMT2AALDH1A1 | |
| SCHEMBL10008041 | 0.74 | ALDH1A1 (0.47) | CYP1B1CASP3MEN1KMT2AALDH1A1 | |
| SCHEMBL10754225 | 0.73 | CASP3 (0.56) | CASP3MEN1KMT2AALDH1A1PKM | |
| SCHEMBL25955055 | 0.72 | CYP1B1 (0.56) | CYP1B1ALDH1A1 | |
| SCHEMBL30676750 | 0.72 | CYP1B1 (0.56) | CYP1B1ALDH1A1 | |
| SCHEMBL28118179 | 0.72 | MAPT (0.43) | CYP1B1CASP3MEN1KMT2AALDH1A1 | |
| SCHEMBL18668961 | 0.72 | CASP3 (0.53) | CASP3MEN1KMT2AALDH1A1PKM | |
| SCHEMBL18669045 | 0.71 | MEN1 (0.48) | CYP1B1CASP3MEN1KMT2AALDH1A1 | |
| SCHEMBL540079 | 0.70 | CHRM5 (0.68) | CYP1B1CASP3HDAC1HDAC7CA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012098240-A1 | OPTICAL SENSOR | CITY UNIVERSITY (GB) | 2012-07-26 | — | — | WO | claimed |
| WO-2012098240-A1 | OPTICAL SENSOR | CITY UNIVERSITY (GB) | 2012-07-26 | — | — | WO | disclosed |