Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.40 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29994625 | 0.82 | CYP2A6 (0.43) | CYP2A6HSD17B10ALDH1A1TSHRTDP1 | |
| SCHEMBL9525894 | 0.77 | SLC2A1 (0.42) | CYP2A6S1PR4S1PR5 | |
| SCHEMBL11553581 | 0.76 | CYP2A6 (0.56) | CYP2A6HSD17B10ALDH1A1TSHRTDP1 | |
| SCHEMBL9536844 | 0.76 | CYP2A6 (0.51) | CYP2A6HSD17B10ALDH1A1TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL9526275 | 0.76 | SLC2A1 (0.41) | CYP2A6S1PR4S1PR5 | |
| SCHEMBL17934651 | 0.76 | ALDH1A1 (0.48) | CYP2A6HSD17B10ALDH1A1TSHRTDP1 | |
| SCHEMBL355949 | 0.75 | CYP2A6 (1.00) | CYP2A6ASIC3LOXL2 | |
| SCHEMBL1193947 | 0.73 | ALDH1A1 (0.59) | CYP2A6HSD17B10ALDH1A1TSHRKDM4E | |
| SCHEMBL12278063 | 0.72 | MAPT (0.44) | HSD17B10ALDH1A1TDP1HPRT1KDM4E | |
| SCHEMBL25410254 | 0.72 | ALDH1A1 (0.48) | CYP2A6HSD17B10ALDH1A1TSHRTDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6096724-A | O(6)-ALKYLGUANINE-DNA ALKYLTRANSFERASE (ATASE) ENZYME INHIBITORS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2000-08-01 | — | — | US | disclosed |
| EP-0874848-A1 | PYRIMIDINE DERIVATIVES AND GUANINE DERIVATIVES, AND THEIR USE IN TREATING TUMOUR CELLS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997020843-A1 | PYRIMIDINE DERIVATIVES AND GUANINE DERIVATIVES, AND THEIR USE IN TREATING TUMOUR CELLS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1997-06-12 | — | — | WO | disclosed |