Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.48 |
| ▸ | DRD1 | P21728 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | DRD2 | P14416 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7734278 | 0.93 | DRD2 (0.46) | MEN1CHRM2HTR1AADRA2ADRD1 | |
| SCHEMBL7723274 | 0.81 | ACHE (0.59) | KMT2ASIGMAR1 | |
| SCHEMBL19994599 | 0.80 | MAOB (0.51) | KCNH2HTR2AHTR2C | |
| SCHEMBL7731150 | 0.79 | FAAH (0.59) | MEN1CHRM2HTR1AADRA2ADRD1 | |
| SCHEMBL7732470 | 0.79 | SIGMAR1 (0.48) | HTR1ADRD3DRD2HTR2AHTR2B | |
| SCHEMBL9256634 | 0.79 | KMT2A (0.54) | MEN1CHRM2HTR1AADRA2ADRD1 | |
| SCHEMBL5764628 | 0.76 | HTR2A (0.43) | KMT2ANPC1RAB9AHTR2AHTR2C | |
| SCHEMBL9252995 | 0.75 | KMT2A (0.53) | MEN1CHRM2HTR1AADRA2ADRD1 | |
| Trifluoroacetic Acid SCHEMBL7736001 | 0.75 | NPC1 (0.50) | MEN1CHRM2HTR1AADRA2ADRD1 | |
| SCHEMBL27687968 | 0.75 | FAAH (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6399619-B1 | PREVENTION AND TREATMENT OF AIDS AND VIRAL INFECTION BY HIV | MERCK & CO., INC. | 2002-06-04 | — | — | US | disclosed |
| WO-2000059497-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |