Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 9/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 8/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 4/20 | 0.42 |
| ▸ | FPR2 | P25090 | 1/20 | 0.41 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17086550 | 1.00 | BCL2A1 (0.49) | BCL2A1SLC6A4SLC6A2SLC6A3P2RX7 | |
| SCHEMBL435756 | 0.86 | SLC6A4 (0.53) | SLC6A4SLC6A2SLC6A3FPR2PROKR1 | |
| SCHEMBL12261486 | 0.82 | SLC6A4 (0.59) | SLC6A4SLC6A2SLC6A3FPR2PROKR1 | |
| SCHEMBL21949437 | 0.81 | SLC6A2 (0.36) | BCL2A1SLC6A4SLC6A2SLC6A3ALDH1A1 | |
| SCHEMBL18239303 | 0.81 | KDM4E (0.39) | SLC6A4SLC6A2SLC6A3ALDH1A1CHRM1 | |
| SCHEMBL19194749 | 0.81 | SLC6A2 (0.57) | SLC6A4SLC6A2SLC6A3FPR2PROKR1 | |
| SCHEMBL18239294 | 0.81 | GAA (0.39) | ALDH1A1GAAHPGDSMN1; SMN2 | |
| SCHEMBL20385344 | 0.81 | GAA (0.39) | ALDH1A1GAAHPGDSMN1; SMN2 | |
| SCHEMBL16024187 | 0.79 | CHRM2 (0.47) | SLC6A4SLC6A2SLC6A3ALDH1A1SMN1; SMN2 | |
| SCHEMBL16861575 | 0.78 | BCL2A1 (0.49) | BCL2A1P2RX7FPR2PROKR1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3113780-B1 | HIV PROTEASE INHIBITORS | MERCK SHARP & DOHME (US) | 2019-08-14 | — | — | EP | disclosed |