Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | PTPRA | P18433 | 1/20 | 0.40 |
| ▸ | PTPRB | P23467 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3249151 | 0.77 | ALDH1A1 (0.42) | CYP3A4RECQLCYP1A2MAPK1ALDH1A1 | |
| SCHEMBL9547513 | 0.75 | SMN1; SMN2 (0.52) | CYP3A4RECQLCYP1A2MAPK1ALDH1A1 | |
| SCHEMBL3249158 | 0.74 | RECQL (0.40) | CYP3A4RECQLCYP1A2MAPK1ALDH1A1 | |
| Phentermine SCHEMBL8096007 | 0.73 | SLC6A2 (0.70) | CYP3A4RECQLCYP1A2MAPK1ALDH1A1 | |
| SCHEMBL8999172 | 0.72 | MMP8 (0.54) | CYP3A4RECQLCYP1A2MAPK1ALDH1A1 | |
| Carbamic Acid SCHEMBL27809934 | 0.72 | PTPRB (0.47) | CYP3A4RECQLCYP1A2MAPK1ALDH1A1 | |
| SCHEMBL7589098 | 0.72 | RECQL (0.41) | CYP3A4RECQLCYP1A2MAPK1ALDH1A1 | |
| SCHEMBL3272201 | 0.71 | MMP8 (0.49) | CYP3A4RECQLCYP1A2MAPK1ALDH1A1 | |
| SCHEMBL16088511 | 0.71 | ALDH1A1 (0.61) | CYP3A4RECQLCYP1A2MAPK1ALDH1A1 | |
| SCHEMBL1632109 | 0.71 | SLC6A2 (0.52) | CYP3A4RECQLCYP1A2MAPK1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4025624-A | Phenylalkylamines and phenylalkylureas in combinations to suppress gastric bleeding in aspirin therapy | A. H. ROBINS COMPANY, INCORPORATED (US) | 1977-05-24 | — | — | US | disclosed |