Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | PTPN7 | P35236 | 1/20 | 0.35 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2370050 | 0.83 | DAO (0.45) | SLC6A2SLC6A4SLC6A3DAOMMP13 | |
| SCHEMBL8123450 | 0.83 | HTT (0.41) | DAO | |
| SCHEMBL27769441 | 0.79 | SIGMAR1 (0.39) | SLC6A2SLC6A4SLC6A3DAOMMP13 | |
| SCHEMBL2090687 | 0.78 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3DAOMMP13 | |
| SCHEMBL17971122 | 0.78 | ESR1 (0.54) | SLC6A2SLC6A4SLC6A3DAOMMP13 | |
| SCHEMBL27790908 | 0.77 | SLC6A4 (0.38) | SLC6A2SLC6A4SLC6A3DAOMMP13 | |
| SCHEMBL6953517 | 0.76 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3DAOMMP13 | |
| SCHEMBL12993418 | 0.76 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3DAOMMP13 | |
| SCHEMBL24663145 | 0.75 | MMP13 (0.40) | SLC6A2SLC6A4SLC6A3DAOMMP13 | |
| SCHEMBL27613147 | 0.75 | ALDH1A1 (0.49) | PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001096283-A9 | HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2002-10-17 | — | — | WO | disclosed |