Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100A4 | P26447 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.41 |
| ▸ | FER | P16591 | 1/20 | 0.41 |
| ▸ | LTK | P29376 | 1/20 | 0.41 |
| ▸ | CDK8 | P49336 | 1/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.41 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.38 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21024561 | 0.79 | CREBBP (0.46) | MAOAMAOBPDGFRAFERLTK | |
| SCHEMBL9389036 | 0.79 | ALDH1A1 (0.44) | S100A4MAOAMAOBPDGFRAFER | |
| SCHEMBL653949 | 0.78 | CREBBP (0.51) | GAAMAPTCREBBPBRPF1BRD4 | |
| SCHEMBL29715311 | 0.78 | CREBBP (0.51) | GAAMAPTCREBBPBRPF1BRD4 | |
| SCHEMBL4805157 | 0.78 | CREBBP (0.51) | GAAMAPTCREBBPBRPF1BRD4 | |
| SCHEMBL4802691 | 0.78 | CREBBP (0.51) | GAAMAPTCREBBPBRPF1BRD4 | |
| SCHEMBL18613851 | 0.77 | CES1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL4068419 | 0.76 | ANPEP (0.50) | MAPTCREBBPBRD4 | |
| Hydrochloric Acid SCHEMBL4065054 | 0.76 | ANPEP (0.50) | MAPTCREBBPBRD4 | |
| Hydrochloric Acid SCHEMBL4069079 | 0.76 | ANPEP (0.50) | MAPTCREBBPBRD4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0730581-B1 | 3-ACYLAMINOBENZAZEPINES | MERCK & CO INC (US) | 2001-10-04 | — | — | EP | disclosed |
| US-5696111-A | ANTIARRHYTHMIC AGENTS | MERCK & CO., INC. (US) | 1997-12-09 | — | — | US | disclosed |
| EP-0730581-A4 | 3-ACYLAMINOBENZAZEPINES | MERCK & CO INC (US) | 1997-02-05 | — | — | EP | disclosed |
| EP-0730581-A1 | 3-ACYLAMINOBENZAZEPINES | MERCK & CO. INC. (US) | 1996-09-11 | — | — | EP | disclosed |
| WO-1995014671-A1 | 3-ACYLAMINOBENZAZEPINES | MERCK & CO., INC. (US) | 1995-06-01 | — | — | WO | disclosed |