Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.46 |
| ▸ | TACR1 | P25103 | 2/20 | 0.42 |
| ▸ | CCR5 | P51681 | 4/20 | 0.41 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.41 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 SCHEMBL7723309 | 0.84 | TACR1 (0.46) | TACR1CCR5DCUN1D1KCNH2SLC6A2 | |
| SCHEMBL7733272 | 0.80 | HTR2A (0.47) | HTR2ACCR5P2RX7KCNH2SLC6A2 | |
| Trifluoroacetic Acid SCHEMBL7732600 | 0.78 | SLC6A4 (0.48) | HTR2ACCR5DCUN1D1KCNH2SLC6A2 | |
| Trifluoroacetic Acid SCHEMBL7731077 | 0.75 | HTR2A (0.44) | HTR2ACCR5DCUN1D1KCNH2SLC6A2 | |
| SCHEMBL14446776 | 0.74 | CCR5 (0.61) | HTR2ACCR5KCNH2SLC6A2SLC6A4 | |
| SCHEMBL4027409 | 0.72 | ALDH1A1 (0.61) | P2RX7ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7668700 | 0.72 | HTR2A (0.48) | HTR2ACCR5KCNH2SLC6A2SLC6A4 | |
| Trifluoroacetic Acid SCHEMBL29207952 | 0.72 | HTR2A (0.47) | HTR2ADCUN1D1KCNH2SLC6A2SLC6A3 | |
| Trifluoroacetic Acid SCHEMBL18428991 | 0.71 | SLC6A4 (0.42) | TACR1DCUN1D1KCNH2DPP4SLC6A2 | |
| Trifluoroacetic Acid SCHEMBL7723374 | 0.69 | EPHX1 (0.43) | HTR2ACCR5MEN1KMT2AALDH1A1 |
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-6399619-B1 | PREVENTION AND TREATMENT OF AIDS AND VIRAL INFECTION BY HIV | MERCK & CO., INC. | 2002-06-04 | — | — | US | disclosed |