Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | GPR3 | P46089 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | METAP1 | P53582 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL30198446 | 0.91 | CYP1A2 (0.60) | CYP1A2ALDH1A1KDM4EGPR3EGFR | |
| SCHEMBL1672650 | 0.91 | CYP1A2 (0.60) | CYP1A2ALDH1A1KDM4EGPR3EGFR | |
| SCHEMBL30527184 | 0.91 | CYP1A2 (0.60) | CYP1A2ALDH1A1KDM4EGPR3EGFR | |
| SCHEMBL13911016 | 0.82 | CYP1A2 (0.56) | CYP1A2ALDH1A1KDM4EGPR3EGFR | |
| SCHEMBL29784044 | 0.82 | KDM4E (0.57) | CYP1A2ALDH1A1KDM4ENPC1MAPT | |
| SCHEMBL45359 | 0.82 | KDM4E (0.57) | CYP1A2ALDH1A1KDM4ENPC1MAPT | |
| SCHEMBL713218 | 0.78 | CYP1A2 (0.66) | CYP1A2KDM4EGPR3NPC1MAPT | |
| SCHEMBL14099190 | 0.78 | CYP1A2 (0.53) | CYP1A2ALDH1A1KDM4EGPR3EGFR | |
| SCHEMBL31325779 | 0.78 | CYP1A2 (0.66) | CYP1A2KDM4EGPR3NPC1MAPT | |
| SCHEMBL18806864 | 0.78 | CYP1A2 (0.61) | CYP1A2ALDH1A1KDM4EGPR3EGFR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0037495-A1 | Pyrimidyl quinazolines, process for their preparation and pharmaceutical compositions containing them | CASSELLA Aktiengesellschaft (DE) | 1981-10-14 | — | — | EP | claimed |
| EP-2665475-A2 | N-ARYLAMINOMETHYLENE BENZOTHIOPHENONES FOR TREATMENT OF CARDIOVASCULAR DISEASE | Max-Delbrück-Centrum für Molekulare Medizin Berlin-Buch (DE) | 2013-11-27 | — | — | EP | disclosed |
| WO-2012098172-A2 | N-ARYLAMINOMETHYLENE BENZOTHIOPHENONES FOR TREATMENT OF CARDIOVASCULAR DISEASE | Max-Delbrück-Centrum für Molekulare Medizin (DE) | 2012-07-26 | — | — | WO | disclosed |
| EP-0037495-A1 | Pyrimidyl quinazolines, process for their preparation and pharmaceutical compositions containing them | CASSELLA Aktiengesellschaft (DE) | 1981-10-14 | — | — | EP | disclosed |
| EP-0037495-A1 | Pyrimidyl quinazolines, process for their preparation and pharmaceutical compositions containing them | CASSELLA Aktiengesellschaft (DE) | 1981-10-14 | — | — | EP | disclosed |
| EP-0037495-A1 | Pyrimidyl quinazolines, process for their preparation and pharmaceutical compositions containing them | CASSELLA Aktiengesellschaft (DE) | 1981-10-14 | — | — | EP | disclosed |