Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 5/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5409921 | 0.82 | ALDH1A1 (0.48) | ALDH1A1GLATSHRCYP19A1LMNA | |
| SCHEMBL23612095 | 0.80 | ALDH1A1 (0.47) | ALDH1A1GLATSHRCYP19A1LMNA | |
| SCHEMBL28799680 | 0.76 | ALDH1A1 (0.43) | ALDH1A1GLATSHRCYP19A1LMNA | |
| SCHEMBL8297342 | 0.74 | — | — | |
| SCHEMBL18414719 | 0.71 | ALDH1A1 (0.42) | ALDH1A1GLATSHRLMNAHTT | |
| SCHEMBL11327883 | 0.70 | ALDH1A1 (0.53) | ALDH1A1GLATSHRCYP19A1LMNA | |
| SCHEMBL31439386 | 0.68 | — | — | |
| SCHEMBL9119505 | 0.68 | — | — | |
| SCHEMBL16423006 | 0.68 | — | — | |
| SCHEMBL2070952 | 0.68 | ALDH1A1 (0.61) | ALDH1A1GLATSHRCYP19A1TDP1 |
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-1994029312-A1 | O6-SUBSTITUTED GUANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND THEIR USE IN TREATING TUMOUR CELLS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1994-12-22 | — | — | WO | disclosed |