Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | MGLL | Q99685 | 4/20 | 0.52 |
| ▸ | FAAH | O00519 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8484132 | 0.94 | CYP1A2 (0.55) | CYP1A2CYP2D6MGLLFAAH | |
| SCHEMBL9173899 | 0.89 | CYP1A2 (0.60) | CYP1A2CYP2D6MGLLFAAH | |
| SCHEMBL9058527 | 0.87 | CYP1A2 (0.61) | CYP1A2CYP2D6MGLLFAAH | |
| SCHEMBL14389738 | 0.83 | CYP1A2 (0.65) | CYP1A2CYP2D6MGLLFAAH | |
| SCHEMBL27499710 | 0.81 | CYP1A2 (0.55) | CYP1A2CYP2D6MGLLFAAH | |
| SCHEMBL8483965 | 0.80 | MAPT (0.65) | CYP1A2CYP2D6MGLL | |
| SCHEMBL18971917 | 0.80 | CYP1A2 (0.57) | CYP1A2CYP2D6MGLLFAAH | |
| SCHEMBL8487645 | 0.80 | CYP1A2 (0.48) | CYP1A2CYP2D6MGLLFAAH | |
| SCHEMBL10459207 | 0.80 | CYP1A2 (0.69) | CYP1A2CYP2D6MGLL | |
| Hydrochloric Acid SCHEMBL11080014 | 0.79 | BCL9 (0.52) | CYP1A2CYP2D6MGLLFAAH |
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 |
|---|---|---|---|---|---|---|---|
| US-5922717-A | ANTICOAGULANTS | DR. KARL THOMAE GMBH (DE) | 1999-07-13 | — | — | US | disclosed |
| US-5700801-A | ANTIINFLAMMATORY AGENTS, BONE DISORDERS | KARL THOMAE, GMBH (DE) | 1997-12-23 | — | — | US | disclosed |
| EP-0718287-A2 | Piperazine derivatives, medicaments containing them, their use, and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1996-06-26 | — | — | EP | disclosed |