Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGMT | P16455 | 1/20 | 0.62 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.50 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.50 |
| ▸ | TOP2A | P11388 | 1/20 | 0.50 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.42 |
| ▸ | CDC7 | O00311 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Lomeguatrib SCHEMBL29406067 | 0.77 | MGMT (1.00) | MGMTPIN1CYP2C19CYP1A2CYP3A4 | |
| Lomeguatrib SCHEMBL4621691 | 0.77 | MGMT (1.00) | MGMTPIN1CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL16758710 | 0.73 | MAP3K5 (0.69) | MGMTPIN1POLBCYP2C19CYP1A2 | |
| SCHEMBL2115657 | 0.73 | PIN1 (1.00) | MGMTPIN1POLBCYP2C19CYP1A2 | |
| SCHEMBL24846529 | 0.72 | POLB (0.78) | PIN1POLBCYP2C19CYP1A2CYP3A4 | |
| SCHEMBL3305057 | 0.71 | PIN1 (0.76) | PIN1POLBCYP2C19CYP1A2CYP3A4 | |
| SCHEMBL24846515 | 0.70 | PIN1 (0.70) | MGMTPIN1POLBCYP2C19CYP1A2 | |
| SCHEMBL2359625 | 0.70 | CYP1A2 (0.64) | MGMTPIN1POLBCYP2C19CYP1A2 | |
| SCHEMBL887207 | 0.70 | ENPP1 (0.70) | MGMTPIN1POLBCYP2C19CYP1A2 | |
| SCHEMBL9346526 | 0.69 | MAP3K5 (0.72) | MGMTPIN1POLBCYP2C19CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |