Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 2/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.53 |
| ▸ | MIF | P14174 | 1/20 | 0.53 |
| ▸ | HTR2A | P28223 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | DRD1 | P21728 | 1/20 | 0.50 |
| ▸ | HTR7 | P34969 | 1/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.50 |
| ▸ | DRD3 | P35462 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8177814 | 0.81 | ADRB1 (0.50) | ADRB1ADRA1AMIFHTR2AHTR2B | |
| SCHEMBL13140614 | 0.79 | HDAC4 (0.47) | ADRB1ADRA1AMIFHTR2AHTR2B | |
| SCHEMBL18912756 | 0.79 | ADRB1 (0.53) | ADRB1ADRA1AMIFHTR2AHTR2B | |
| SCHEMBL28582936 | 0.79 | CYP3A4 (0.47) | SLC6A3KDM4EALDH1A1CA12CA2 | |
| SCHEMBL6201854 | 0.79 | AOC3 (0.49) | LMNAALDH1A1ACHE | |
| SCHEMBL23190399 | 0.78 | SLC6A3 (0.40) | ADRB1ADRA1AMIFHTR2AHTR2B | |
| SCHEMBL6204446 | 0.78 | ADRB1 (0.47) | ADRB1ADRA1AMIFHTR2AHTR2B | |
| SCHEMBL6204741 | 0.78 | AOC3 (0.50) | ADRB1TSHRADRB2ADRB3SLC6A3 | |
| SCHEMBL6202883 | 0.78 | AOC3 (0.56) | TSHRALDH1A1CA2CYP3A4CA9 | |
| SCHEMBL6205042 | 0.78 | IDO1 (0.44) | SLC6A3ALDH1A1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2806897-B1 | INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING LFA-1 | HOFFMANN LA ROCHE (CH) | 2017-08-02 | — | — | EP | disclosed |
| EP-1506175-A1 | N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-02-16 | — | — | EP | disclosed |
| WO-2003097609-A1 | N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2003-11-27 | — | — | WO | disclosed |