Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLA1 | P09884 | 4/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 1/20 | 0.44 |
| ▸ | HTR5A | P47898 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7228281 | 1.00 | POLA1 (0.44) | POLA1SIGMAR1ADRB2HTR1AADRA2A | |
| SCHEMBL29337389 | 0.82 | CYP3A4 (0.49) | POLA1SIGMAR1ADRB2HTR1AADRA2A | |
| SCHEMBL18793785 | 0.82 | CYP3A4 (0.49) | POLA1SIGMAR1ADRB2HTR1AADRA2A | |
| SCHEMBL18793793 | 0.82 | CYP3A4 (0.49) | POLA1SIGMAR1ADRB2HTR1AADRA2A | |
| SCHEMBL3749240 | 0.81 | DGAT1 (0.49) | POLA1SIGMAR1ADRB2HTR1AADRA2A | |
| SCHEMBL7402146 | 0.78 | KDM4E (0.52) | POLA1SIGMAR1ADRB2HTR1AADRA2A | |
| SCHEMBL3431949 | 0.77 | POLA1 (0.49) | POLA1SIGMAR1TSHRALDH1A1HPGD | |
| SCHEMBL4737865 | 0.76 | HDAC9 (0.44) | SIGMAR1TSHRALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL4735703 | 0.76 | HDAC9 (0.44) | SIGMAR1TSHRALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL7446695 | 0.75 | POLA1 (0.45) | POLA1SIGMAR1ADRB2HTR1AADRA2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6645939-B1 | Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment | MERCK & CO., INC. | 2003-11-11 | — | — | US | disclosed |