Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 3/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.54 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 4/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CCNB2 | O95067 | 2/20 | 0.49 |
| ▸ | CDK1 | P06493 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL32669313 | 0.81 | CDK1 (0.51) | EGFRPOLBNR2F2MEN1KMT2A | |
| SCHEMBL10874378 | 0.81 | HTT (0.52) | EGFRCYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL28242264 | 0.81 | EGFR (0.52) | EGFRPOLBNR2F2MEN1KMT2A | |
| SCHEMBL21636908 | 0.80 | CYP1A2 (0.58) | EGFRNR2F2MAPTCYP1A2CYP3A4 | |
| SCHEMBL23392698 | 0.80 | APP (0.59) | EGFRPOLBNR2F2MEN1KMT2A | |
| SCHEMBL32669328 | 0.80 | EGFR (0.51) | EGFRPOLBNR2F2MEN1KMT2A | |
| SCHEMBL21382408 | 0.78 | NPC1 (0.62) | EGFRPOLBNR2F2MEN1KMT2A | |
| SCHEMBL27429524 | 0.77 | VNN1 (0.61) | EGFRPOLBNR2F2MEN1KMT2A | |
| SCHEMBL29634669 | 0.76 | HTT (0.58) | EGFRPOLBNR2F2MEN1KMT2A | |
| SCHEMBL5233252 | 0.76 | HTT (0.58) | EGFRPOLBNR2F2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0206415-A2 | (4-Piperidinylmethyl and -hetero)purines | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-12-30 | — | — | EP | disclosed |