Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 7/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3270060 | 0.80 | SMN1; SMN2 (0.53) | CYP3A4RECQLCYP1A2MAPK1ALDH1A1 | |
| SCHEMBL28180476 | 0.77 | ALDH1A1 (0.44) | CYP3A4RECQLCYP1A2MAPK1ALDH1A1 | |
| SCHEMBL16321816 | 0.77 | SMN1; SMN2 (0.50) | CYP3A4RECQLCYP1A2MAPK1ALDH1A1 | |
| Acetic Acid SCHEMBL28732415 | 0.71 | SLC6A2 (0.53) | CYP3A4RECQLCYP1A2MAPK1ALDH1A1 | |
| SCHEMBL11543629 | 0.71 | ALDH1A1 (0.49) | CYP3A4RECQLCYP1A2MAPK1ALDH1A1 | |
| Acetic Acid SCHEMBL1551090 | 0.70 | HIF1A (0.50) | CYP3A4RECQLCYP1A2MAPK1ALDH1A1 | |
| SCHEMBL6552350 | 0.70 | SMN1; SMN2 (0.50) | CYP3A4RECQLCYP1A2ALDH1A1CYP2C9 | |
| SCHEMBL6514301 | 0.69 | ALDH1A1 (0.65) | CYP3A4RECQLCYP1A2MAPK1ALDH1A1 | |
| SCHEMBL6512594 | 0.69 | ALDH1A1 (0.44) | CYP3A4RECQLCYP1A2MAPK1ALDH1A1 | |
| SCHEMBL6552343 | 0.69 | SLC6A2 (0.54) | CYP3A4RECQLCYP1A2ALDH1A1CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2428226-A1 | Antibody targeting compounds | THE SCRIPPS RESEARCH INSTITUTE (US) | 2012-03-14 | — | — | EP | disclosed |