Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 5/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | PNMT | P11086 | 6/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27997002 | 0.88 | AHR (0.52) | AHRSLC6A2SLC6A4SLC6A3CYP1B1 | |
| SCHEMBL8640742 | 0.80 | PTGS2 (0.44) | HTR2AHTR2CHTR2BMEN1KMT2A | |
| SCHEMBL8638141 | 0.78 | SIGMAR1 (0.52) | PNMTADRA2AADRA2BADRA2CASIC3 | |
| SCHEMBL9870874 | 0.77 | AHR (0.65) | AHRSLC6A2SLC6A3CYP1B1MAPT | |
| SCHEMBL8639724 | 0.76 | HTR2C (0.56) | SLC6A4PNMTASIC3HTR2AHTR2C | |
| SCHEMBL8640758 | 0.73 | HTR7 (0.41) | PNMTASIC3MAPTNOTUMUSP2 | |
| SCHEMBL8638170 | 0.73 | MLNR (0.39) | PNMTASIC3HTR2AHTR2CHTR2B | |
| SCHEMBL6472818 | 0.73 | AHR (0.59) | AHRSLC6A2SLC6A4SLC6A3CYP1B1 | |
| SCHEMBL4808905 | 0.71 | AHR (0.56) | AHRSLC6A2SLC6A3CYP1B1MAPT | |
| SCHEMBL30022165 | 0.70 | ADRA2A (0.60) | AHRSLC6A2SLC6A4SLC6A3CYP1B1 |
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-5861416-A | TREATMENT OF ASTHMA OR COUGH | MERRELL PHARMACEUTICALS INC. (US) | 1999-01-19 | — | — | US | disclosed |
| US-5824690-A | TREATING ASTHMA, COUGH | HOECHST MARION ROUSSEL INC. (US) | 1998-10-20 | — | — | US | disclosed |