Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | DRD3 | P35462 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | MC4R | P32245 | 3/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | F10 | P00742 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7657908 | 1.00 | CCR5 (0.45) | CCR5ROCK2DRD2DRD3ALDH1A1 | |
| SCHEMBL8094092 | 0.91 | RORC (0.47) | CCR5DRD2DRD3RORCMAOB | |
| SCHEMBL12303492 | 0.91 | RORC (0.47) | CCR5DRD2DRD3RORCMAOB | |
| SCHEMBL7836897 | 0.91 | RORC (0.47) | CCR5DRD2DRD3RORCMAOB | |
| SCHEMBL6106312 | 0.91 | RORC (0.47) | CCR5DRD2DRD3RORCMAOB | |
| SCHEMBL23951605 | 0.91 | RORC (0.47) | CCR5DRD2DRD3RORCMAOB | |
| SCHEMBL7494189 | 0.91 | RORC (0.47) | CCR5DRD2DRD3RORCMAOB | |
| SCHEMBL7836904 | 0.91 | RORC (0.47) | CCR5DRD2DRD3RORCMAOB | |
| SCHEMBL6105682 | 0.91 | RORC (0.47) | CCR5DRD2DRD3RORCMAOB | |
| SCHEMBL7972580 | 0.91 | RORC (0.47) | CCR5DRD2DRD3RORCMAOB |
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 |