Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9436772 | 1.00 | CHRNB2 (0.34) | CHRNB2CHRNA4SIGMAR1CYP1A2CYP2D6 | |
| SCHEMBL9701430 | 0.83 | CA1 (0.33) | CHRNB2CHRNA4RAB9ATAS1R3TAS1R1 | |
| SCHEMBL8844480 | 0.81 | — | — | |
| SCHEMBL7902272 | 0.81 | KDM4E (0.32) | — | |
| SCHEMBL9700197 | 0.81 | MAOB (0.32) | TAS1R3TAS1R1TAS1R2KMT2AMAPK1 | |
| SCHEMBL7902260 | 0.78 | CYP1A2 (0.35) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL7902266 | 0.78 | CYP1A2 (0.35) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL7902256 | 0.78 | CYP1A2 (0.35) | CYP1A2CYP2D6CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9702535 | 0.78 | MAPT (0.35) | CYP1A2CYP2C19CYP3A4RAB9AMAPK1 | |
| SCHEMBL9702241 | 0.76 | RAB9A (0.33) | CHRNB2CHRNA4SIGMAR1CYP3A4RAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0557307-A1 | PROCESS FOR PRODUCING 4,5,6,7-TETRAHYDRO-IMIDAZO-(4,5,LJK) (1,4)-BENZODIAZEPINE-2-(1H)-THIONES AND INTERMEDIATE PRODUCTS | Roche Diagnostics GmbH (DE) | 1993-09-01 | — | — | EP | disclosed |
| WO-1992008706-A1 | PROCESS FOR PRODUCING 4,5,6,7-TETRAHYDRO-IMIDAZO-(4,5,LJK) (1,4)-BENZODIAZEPINE-2-(1H)-THIONES AND INTERMEDIATE PRODUCTS | BOEHRINGER MANNHEIM GMBH (DE) | 1992-05-29 | — | — | WO | disclosed |