Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | HTR2B | P41595 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | APLNR | P35414 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL180252 | 0.85 | ALDH1A1 (0.50) | CYP1A2CA12CA1CA2CA7 | |
| Bromide SCHEMBL20424457 | 0.83 | ALDH1A1 (0.48) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL31325535 | 0.83 | ALDH1A1 (0.48) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL15094975 | 0.79 | ALDH1A1 (0.43) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL8333000 | 0.74 | CA12 (0.39) | CYP1A2CA12CA1CA2CA7 | |
| Acetic Acid SCHEMBL4282570 | 0.74 | CYP3A4 (0.50) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL31747503 | 0.74 | CA12 (0.37) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL8932161 | 0.74 | ALDH1A1 (0.42) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL31747558 | 0.72 | CA12 (0.35) | CYP1A2CA12CA1CA2CA7 | |
| SCHEMBL6873501 | 0.71 | PTGS2 (0.61) | TAAR1CA2ALDH1A1HTR2AHTR2C |
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 |