Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | TOP2A | P11388 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.41 |
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | CHUK | O15111 | 1/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | PAK4 | O96013 | 1/20 | 0.41 |
| ▸ | CSF1R | P07333 | 1/20 | 0.41 |
| ▸ | RET | P07949 | 1/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 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 | |
|---|---|---|---|---|
| SCHEMBL27586450 | 0.83 | NUDT1 (0.49) | PTK2ALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL6516685 | 0.82 | CHEK1 (0.46) | CHEK1RPS6KA3IKBKBCHUKDAPK3 | |
| Bromide SCHEMBL28797051 | 0.80 | CHEK1 (0.45) | CHEK1RPS6KA3IKBKBCHUKDAPK3 | |
| SCHEMBL10199428 | 0.79 | GRM4 (0.58) | CHEK1RPS6KA3IKBKBCHUKDAPK3 | |
| SCHEMBL9870675 | 0.78 | RECQL (0.43) | CHEK1RPS6KA3IKBKBCHUKDAPK3 | |
| SCHEMBL13215846 | 0.78 | MKNK1 (0.39) | GRM4NPC1RAB9ACYP2A6ERN1 | |
| SCHEMBL13215847 | 0.77 | KDM4E (0.46) | NPC1RAB9AALDH1A1HPGDHSD17B10 | |
| SCHEMBL9870508 | 0.77 | CHEK1 (0.42) | CHEK1ESR2RPS6KA3IKBKBCHUK | |
| SCHEMBL25696391 | 0.76 | CHEK1 (0.45) | CHEK1RPS6KA3IKBKBCHUKDAPK3 | |
| SCHEMBL5532390 | 0.76 | TACR1 (0.51) | CHEK1ALDH1A1SMN1; SMN2TACR1MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0944626-A4 | TROPANE DERIVATIVES AND METHOD FOR THEIR SYNTHESIS | UNIV GEORGETOWN (US) | 2002-09-04 | — | — | EP | disclosed |
| EP-0944626-A1 | TROPANE DERIVATIVES AND METHOD FOR THEIR SYNTHESIS | GEORGETOWN UNIVERSITY (US) | 1999-09-29 | — | — | EP | disclosed |
| WO-1998024788-A1 | TROPANE DERIVATIVES AND METHOD FOR THEIR SYNTHESIS | GEORGETOWN UNIVERSITY (US) | 1998-06-11 | — | — | WO | disclosed |