Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 11/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.48 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | CCR5 | P51681 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7135396 | 0.92 | SLC6A4 (0.52) | SLC6A4SLC6A2DCUN1D1KCNH2CCR5 | |
| Trifluoroacetic Acid SCHEMBL7731077 | 0.87 | HTR2A (0.44) | SLC6A4SLC6A2DCUN1D1KCNH2CCR5 | |
| SCHEMBL7732604 | 0.80 | CCR5 (0.51) | DCUN1D1KCNH2CCR5HTR2ASLC2A1 | |
| SCHEMBL16118655 | 0.80 | HTR2A (0.59) | SLC6A4SLC6A2DCUN1D1KCNH2CCR5 | |
| Trifluoroacetic Acid SCHEMBL7733264 | 0.78 | HTR2A (0.46) | SLC6A4SLC6A2DCUN1D1KCNH2CCR5 | |
| Trifluoroacetic Acid SCHEMBL29208088 | 0.78 | SLC6A2 (0.46) | SLC6A4SLC6A2DCUN1D1HTR2ASLC6A3 | |
| SCHEMBL340564 | 0.76 | HTR2A (0.58) | SLC6A4SLC6A2DCUN1D1KCNH2CCR5 | |
| SCHEMBL10322397 | 0.76 | HTR2A (0.58) | SLC6A4SLC6A2DCUN1D1KCNH2CCR5 | |
| Trifluoroacetic Acid SCHEMBL22797934 | 0.76 | SLC6A4 (0.44) | SLC6A4SLC6A2DCUN1D1KCNH2SLC6A3 | |
| Hydrochloric Acid SCHEMBL7667104 | 0.76 | SLC6A4 (0.54) | SLC6A4SLC6A2DCUN1D1KCNH2CCR5 |
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 |