Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.42 |
| ▸ | CCR1 | P32246 | 2/20 | 0.42 |
| ▸ | CCR5 | P51681 | 2/20 | 0.42 |
| ▸ | CCR8 | P51685 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | METAP1 | P53582 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL201627 | 0.97 | — | — | |
| SCHEMBL29462398 | 0.97 | — | — | |
| Water SCHEMBL30010184 | 0.95 | LMNA (0.42) | LMNAKDM4EP4HTMCCR1CCR5 | |
| SCHEMBL27600111 | 0.95 | LMNA (0.42) | LMNAKDM4EP4HTMCCR1CCR5 | |
| SCHEMBL9109465 | 0.95 | LMNA (0.42) | LMNAKDM4EP4HTMCCR1CCR5 | |
| SCHEMBL28694963 | 0.79 | KMT2A (0.41) | KDM4EL3MBTL1TDP1NPC1RAB9A | |
| SCHEMBL937093 | 0.79 | KDM4E (0.30) | LMNAKDM4EP4HTMCCR1CCR5 | |
| SCHEMBL28692754 | 0.79 | CYP2A6 (0.44) | LMNAKDM4EP4HTMCCR1CCR5 | |
| Imidazole SCHEMBL1128805 | 0.79 | ALDH1A1 (0.45) | LMNAKDM4EP4HTMCCR1CCR5 | |
| SCHEMBL13382563 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108473478-A | TBK/IKK inhibitor compounds and uses thereof | 默克专利有限公司 | 2018-08-31 | — | — | CN | disclosed |