Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | TYK2 | P29597 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | NNMT | P40261 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.36 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.36 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CSF1R | P07333 | 3/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 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 | |
|---|---|---|---|---|
| SCHEMBL6492057 | 0.82 | CYP2D6 (0.43) | HTTJAK2JAK1TYK2JAK3 | |
| SCHEMBL6983849 | 0.81 | CYP2D6 (0.44) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| Oxalic Acid SCHEMBL6553236 | 0.80 | CYP2D6 (0.47) | HTTJAK2JAK1TYK2JAK3 | |
| Oxalic Acid SCHEMBL6493248 | 0.67 | NOS2 (0.67) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6498984 | 0.65 | NOS2 (0.62) | CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1439439 | 0.65 | PDCD1LG2 (0.42) | NNMTCYP3A4CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL1439436 | 0.65 | PDCD1LG2 (0.42) | NNMTCYP3A4CYP2D6SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL18765506 | 0.64 | PDCD1LG2 (0.41) | NNMTCYP3A4CYP2D6SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL18765505 | 0.64 | PDCD1LG2 (0.41) | NNMTCYP3A4CYP2D6SLC6A2SLC6A4 | |
| Hydrochloric Acid SCHEMBL29676921 | 0.64 | PDCD1LG2 (0.41) | NNMTCYP3A4CYP2D6SLC6A2SLC6A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1263711-A1 | NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES | AstraZeneca AB (SE) | 2002-12-11 | — | — | EP | disclosed |
| WO-2001062704-A1 | NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES | ASTRAZENECA AB (SE) | 2001-08-30 | — | — | WO | disclosed |