Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNP | P00491 | 3/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.37 |
| ▸ | KLK1 | P06870 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL8208746 | 0.82 | PNP (0.45) | PNPCYP11B1CYP11B2CYP2E1CYP3A4 | |
| SCHEMBL9434507 | 0.81 | PNP (0.35) | PNPALDH1A1HPGDMAPTSMN1; SMN2 | |
| SCHEMBL3300181 | 0.81 | PNP (0.35) | PNP | |
| SCHEMBL4963405 | 0.81 | MGMT (0.35) | PNPALDH1A1MAPTKDM4E | |
| SCHEMBL18247 | 0.81 | PNP (0.59) | PNPALDH1A1MAPTKDM4E | |
| SCHEMBL4966163 | 0.80 | ADRA1D (0.39) | PNPCYP2A6 | |
| SCHEMBL1980958 | 0.80 | PNP (0.57) | PNPALDH1A1MAPTKDM4E | |
| SCHEMBL4962851 | 0.79 | PNP (0.53) | PNPCYP3A4CYP2C9CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL17186370 | 0.78 | PNP (0.52) | PNPCYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL1938284 | 0.76 | KMT2A (0.42) | PNPALDH1A1LMNAMAPTKDM4E |
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-6096724-A | O(6)-ALKYLGUANINE-DNA ALKYLTRANSFERASE (ATASE) ENZYME INHIBITORS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 2000-08-01 | — | — | US | disclosed |