Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | AMY1A | P0DUB6 | 3/20 | 0.34 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL11262076 | 0.85 | EGFR (0.43) | EGFRPDE2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11237399 | 0.85 | PDE2A (0.51) | EGFRPDE2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7272106 | 0.82 | PDE2A (0.43) | PDE2AALDH1A1AMY1AKDM4E | |
| SCHEMBL11234352 | 0.77 | EGFR (0.38) | EGFRPDE2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11007244 | 0.76 | PDE2A (0.38) | EGFRPDE2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11009793 | 0.76 | MEN1 (0.38) | PDE2ACYP1A2CYP3A4ALDH1A1MAPT | |
| SCHEMBL10983982 | 0.75 | CYP17A1 (0.33) | EGFRAMY1ACYP17A1CYP11B1CYP11B2 | |
| SCHEMBL11008020 | 0.75 | PDE2A (0.39) | EGFRPDE2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11004488 | 0.75 | MAOB (0.40) | EGFRPDE2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11012358 | 0.75 | SMN1; SMN2 (0.41) | EGFRPDE2ACYP1A2CYP3A4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0024290-B1 | 8-PHENYL PURINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1982-12-22 | — | — | EP | disclosed |
| US-4299834-A | INOTROPIC ACTIVITY | BOEHRINGER INGELHEIM GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-11-10 | — | — | US | disclosed |
| EP-0024290-A1 | 8-Phenyl purines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1981-03-04 | — | — | EP | disclosed |