Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | ARG1 | P05089 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.37 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5764625 | 0.89 | HSD11B1 (0.40) | CCR5CHRM1CHRM3ARG1HSD11B1 | |
| SCHEMBL6011594 | 0.87 | CRBN (0.46) | CCR5CHRM1CHRM3CRBNCNR2 | |
| Hydrochloric Acid SCHEMBL5763987 | 0.86 | CRBN (0.45) | CHRM1CHRM3CRBNCNR2KMT2A | |
| Bicarbonate SCHEMBL15103624 | 0.78 | CRBN (0.48) | CHRM1CHRM3HSD11B1CRBNCNR2 | |
| SCHEMBL6469254 | 0.76 | CHRM1 (0.44) | CHRM1CHRM3CNR2KMT2A | |
| SCHEMBL6011457 | 0.76 | ALDH1A1 (0.51) | ITGB3ITGA2BCHRM2 | |
| SCHEMBL6469248 | 0.75 | CHRM1 (0.45) | CHRM1CHRM3CNR2KMT2A | |
| SCHEMBL6011550 | 0.75 | CA2 (0.42) | CHRM1CHRM3KMT2A | |
| SCHEMBL7664864 | 0.74 | CCR5 (0.43) | CCR5ARG1NPC1RAB9A | |
| SCHEMBL8555011 | 0.74 | ALDH1A1 (0.51) | CHRM1CHRM3CRBNCNR2NPC1 |
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 |