Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.49 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.47 |
| ▸ | TUBB | P07437 | 2/20 | 0.47 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.47 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.47 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.47 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.47 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.47 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.47 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.47 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.47 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.47 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.47 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.47 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.47 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9111066 | 1.00 | EGFR (0.56) | EGFRHDAC3TUBB4ATUBBTUBA3C | |
| SCHEMBL9111048 | 0.94 | HDAC3 (0.51) | EGFRHDAC3TUBB4ATUBBTUBA3C | |
| SCHEMBL7945432 | 0.81 | TDP1 (0.53) | EGFRHDAC3NPC1L3MBTL1TDP1 | |
| SCHEMBL7933720 | 0.81 | TDP1 (0.53) | EGFRHDAC3NPC1L3MBTL1TDP1 | |
| SCHEMBL19441374 | 0.80 | TDP1 (0.49) | EGFRHDAC3NPC1L3MBTL1TDP1 | |
| Cinnamic Acid SCHEMBL28752126 | 0.79 | HDAC3 (0.70) | EGFRHDAC3TUBB4ATUBBTUBA3C | |
| SCHEMBL10826158 | 0.79 | APP (0.63) | HDAC3TDP1GLAALDH1A1CYP2C9 | |
| SCHEMBL10826156 | 0.79 | APP (0.63) | HDAC3TDP1GLAALDH1A1CYP2C9 | |
| SCHEMBL28048304 | 0.79 | ALDH1A1 (0.56) | EGFRHDAC3TUBB4ATUBBTUBA3C | |
| SCHEMBL19210262 | 0.77 | ALDH1A1 (0.69) | EGFRHDAC3TDP1ALDH1A1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1995014383-A1 | ALKYL-N-PYRROLES | BAYER AKTIENGESELLSCHAFT (DE) | 1995-06-01 | — | — | WO | disclosed |