Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5569576 | 0.75 | ALDH1A1 (0.42) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL15094976 | 0.73 | ALDH1A1 (0.40) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL4289737 | 0.69 | ALDH1A1 (0.38) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL18863400 | 0.68 | PTPN1 (0.50) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL15255504 | 0.68 | ALDH1A1 (0.48) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL1049672 | 0.67 | TAAR1 (0.64) | CYP1A2TAAR1ADRA1ACYP3A4MAPK1 | |
| SCHEMBL4002789 | 0.66 | ALDH1A1 (0.46) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL29104333 | 0.66 | ALDH1A1 (0.46) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL442070 | 0.66 | CYP1A2 (0.50) | CYP1A2TAAR1ADRA1ACA12CA1 | |
| SCHEMBL18880273 | 0.66 | PTPN1 (0.48) | CYP1A2CA1CA2CYP3A4ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012104225-A1 | DERIVATIZATION OF RADIOPHARMACEUTICALS | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-08-09 | — | — | WO | disclosed |