Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 3/20 | 0.53 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.40 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 4/20 | 0.36 |
| ▸ | HTR2C | P28335 | 4/20 | 0.36 |
| ▸ | DRD2 | P14416 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10734044 | 0.85 | MAPK1 (0.43) | AHRDRD2MAPK1KDM4EATM | |
| SCHEMBL10952178 | 0.83 | AHR (0.50) | AHRSIRT1PTPRCHTR2AHTR2C | |
| SCHEMBL10957290 | 0.82 | AHR (0.49) | AHRSIRT1PTPRCHTR2AHTR2C | |
| SCHEMBL10730117 | 0.81 | MAPK1 (0.49) | AHRHTR2AHTR2CDRD2ADRA2A | |
| SCHEMBL16455012 | 0.81 | AHR (0.65) | AHRSIRT1PTPRCHTR2AHTR2C | |
| SCHEMBL16800898 | 0.80 | AHR (0.63) | AHRSIRT1PTPRCHTR2AHTR2C | |
| SCHEMBL16800942 | 0.79 | AHR (0.61) | AHRSIRT1PTPRCHTR2AHTR2C | |
| SCHEMBL11088273 | 0.78 | GSK3B (0.36) | AHRHTR2AHTR2CADRA2C | |
| SCHEMBL19885489 | 0.76 | AHR (0.57) | AHRSIRT1PTPRCHTR2AHTR2C | |
| SCHEMBL10956695 | 0.75 | AHR (0.57) | AHRSIRT1PTPRCHTR2AHTR2C |
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-4492691-A | TRANSQUILIZERS, SEDATIVES | CIBA-GEIGY CORPORATION (US) | 1985-01-08 | — | — | US | disclosed |
| EP-0030916-B1 | AZATETRACYCLIC CARBONITRILES | CIBA-GEIGY AG (CH) | 1984-08-29 | — | — | EP | disclosed |
| EP-0030916-A1 | Azatetracyclic carbonitriles | CIBA-GEIGY AG (CH) | 1981-06-24 | — | — | EP | disclosed |