Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 3/20 | 0.43 |
| ▸ | ARG1 | P05089 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | AOC2 | O75106 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5764628 | 0.87 | HTR2A (0.43) | CCR5ARG1HTR2AHTR2CCYP3A4 | |
| SCHEMBL7664869 | 0.74 | CCR5 (0.40) | CCR5ARG1NPC1RAB9A | |
| SCHEMBL7607099 | 0.74 | GPR119 (0.57) | — | |
| Trifluoroacetic Acid SCHEMBL5764625 | 0.70 | HSD11B1 (0.40) | CCR5ARG1NPC1RAB9A | |
| SCHEMBL6011594 | 0.69 | CRBN (0.46) | CCR5HTR2AHTR2CCYP3A4CYP2C19 | |
| Hydrochloric Acid SCHEMBL5763987 | 0.68 | CRBN (0.45) | HTR2AHTR2CCYP3A4CYP2C19 | |
| SCHEMBL19994599 | 0.67 | MAOB (0.51) | HTR2AHTR2C | |
| SCHEMBL6011652 | 0.66 | SLC6A4 (0.62) | CCR5 | |
| SCHEMBL6011653 | 0.66 | SLC6A4 (0.62) | CCR5 | |
| SCHEMBL7734278 | 0.65 | DRD2 (0.46) | HTR2AHTR2CNPC1RAB9A |
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-6498161-B1 | TREATING INFECTION BY HIV; DELAYING OF THE ONSET OF AIDS; ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS | MERCK & CO., INC. | 2002-12-24 | — | — | US | disclosed |