Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 2/20 | 0.43 |
| ▸ | CTSK | P43235 | 3/20 | 0.35 |
| ▸ | CTSL | P07711 | 2/20 | 0.35 |
| ▸ | CTSB | P07858 | 2/20 | 0.35 |
| ▸ | ADH1B | P00325 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | ADH4 | P08319 | 1/20 | 0.34 |
| ▸ | ADH7 | P40394 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.30 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9823945 | 0.75 | GNAI3 (0.49) | CXCR4ADH1BADH1CADH1AADH4 | |
| SCHEMBL9824611 | 0.75 | CHRM5 (0.48) | SIGMAR1ACHECHRM5ADRA2CHRH3 | |
| SCHEMBL6876590 | 0.73 | MAOB (0.40) | CTSKCHRM5ADRA2CMAOBKDM2B | |
| SCHEMBL3897140 | 0.73 | CYP2D6 (0.44) | KDM4ECHRM5ADRA2CBCHEMAOB | |
| SCHEMBL8043238 | 0.72 | CXCR4 (0.49) | CXCR4ADH1BADH1CADH1AADH4 | |
| SCHEMBL9824457 | 0.71 | CHRM5 (0.53) | CTSKCTSLCTSBKDM4EACHE | |
| SCHEMBL9824752 | 0.71 | CHRM5 (0.53) | CTSKCTSLCTSBKDM4EACHE | |
| SCHEMBL9824005 | 0.71 | HRH3 (0.35) | CXCR4CTSKCTSBADH1BADH1C | |
| SCHEMBL9824965 | 0.71 | HRH3 (0.33) | KDM4EACHEHRH3SMN1; SMN2 | |
| SCHEMBL8030921 | 0.70 | CXCR4 (0.48) | CXCR4ADH1BADH1CADH1AADH4 |
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-0273239-B1 | CONDENSED DIAZEPINONES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1991-03-06 | — | — | EP | disclosed |
| US-4873236-A | BRADYCARDIAL AGENTS | DR. KARL THOMAE GMBH (DE) | 1989-10-10 | — | — | US | disclosed |