Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 6/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.44 |
| ▸ | TUBB4A | P04350 | 4/20 | 0.44 |
| ▸ | TUBB | P07437 | 4/20 | 0.44 |
| ▸ | TUBA3C | P0DPH7 | 4/20 | 0.44 |
| ▸ | TUBA1B | P68363 | 4/20 | 0.44 |
| ▸ | TUBA4A | P68366 | 4/20 | 0.44 |
| ▸ | TUBB4B | P68371 | 4/20 | 0.44 |
| ▸ | TUBB3 | Q13509 | 4/20 | 0.44 |
| ▸ | TUBB2A | Q13885 | 4/20 | 0.44 |
| ▸ | TUBB8 | Q3ZCM7 | 4/20 | 0.44 |
| ▸ | TUBA3E | Q6PEY2 | 4/20 | 0.44 |
| ▸ | TUBA1A | Q71U36 | 4/20 | 0.44 |
| ▸ | TUBA1C | Q9BQE3 | 4/20 | 0.44 |
| ▸ | TUBB6 | Q9BUF5 | 4/20 | 0.44 |
| ▸ | TUBB2B | Q9BVA1 | 4/20 | 0.44 |
| ▸ | TUBB1 | Q9H4B7 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL21780953 | 0.99 | NPC1 (0.43) | CYP1A1CYP1B1TUBB4ATUBBTUBA3C | |
| SCHEMBL21780963 | 0.89 | PDE4A (0.45) | CYP1A1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL21768000 | 0.80 | PDE4B (0.47) | NPC1 | |
| SCHEMBL31238162 | 0.78 | ALDH1A1 (0.42) | CYP1A1CYP1B1TUBB4ATUBBTUBA3C | |
| SCHEMBL16982124 | 0.78 | ALDH1A1 (0.42) | CYP1A1CYP1B1TUBB4ATUBBTUBA3C | |
| SCHEMBL21780878 | 0.78 | ALDH1A1 (0.42) | CYP1A1CYP1B1TUBB4ATUBBTUBA3C | |
| SCHEMBL21780957 | 0.74 | TUBB4A (0.52) | CYP1A1CYP1B1TUBB4ATUBBTUBA3C | |
| SCHEMBL2826447 | 0.72 | KDM1A (0.51) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL21452433 | 0.72 | NR3C1 (0.47) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL1380697 | 0.72 | KDM1A (0.51) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A |
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-3616692-A1 | PHARMACEUTICAL COMPOSITION, CONTAINING NM23 ACTIVATOR, FOR INHIBITING CANCER METASTASIS | Ewha University-Industry Collaboration Foundation (KR) | 2020-03-04 | — | — | EP | disclosed |