Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | PTGES | O14684 | 1/20 | 0.39 |
| ▸ | PRSS12 | P56730 | 2/20 | 0.38 |
| ▸ | PDE4A | P27815 | 3/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.38 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9254618 | 0.94 | CHEK2 (0.42) | CHEK2F10HDAC1HDAC8HDAC6 | |
| SCHEMBL9252426 | 0.89 | PRSS12 (0.39) | CHEK2F10HDAC1HDAC8HDAC6 | |
| SCHEMBL9255533 | 0.86 | NPC1 (0.40) | CHEK2RAB9AHDAC1HDAC8HDAC6 | |
| SCHEMBL9249762 | 0.84 | ITGB3 (0.42) | CHEK2F10HDAC1HDAC8HDAC6 | |
| SCHEMBL9255062 | 0.82 | CHEK2 (0.40) | CHEK2F10HDAC1HDAC8HDAC6 | |
| SCHEMBL9248606 | 0.82 | EHMT2 (0.49) | RAB9AF10EHMT2TP53 | |
| SCHEMBL9252912 | 0.82 | ITGB3 (0.43) | CHEK2HDAC1HDAC8HDAC6PRSS12 | |
| SCHEMBL9245485 | 0.82 | PTGER4 (0.48) | RAB9AF10CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9249905 | 0.81 | CHEK2 (0.39) | CHEK2RAB9AHDAC1HDAC8HDAC6 | |
| Acetic Acid SCHEMBL9256132 | 0.80 | CHEK2 (0.39) | CHEK2RAB9AF10HDAC1HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| US-5434150-A | Anticoagulants, cardiovascular disorders | DR. KARL THOMAE GMBH (DE) | 1995-07-18 | — | — | US | disclosed |
| EP-0531883-A1 | Condensed 5-membered ring heterocycles, process for their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1993-03-17 | — | — | EP | disclosed |