Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.62 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.62 |
| ▸ | CA9 | Q16790 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.49 |
| ▸ | TUBB | P07437 | 1/20 | 0.49 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.49 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.49 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.49 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.49 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.49 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.49 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.49 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.49 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.49 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.49 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7911729 | 0.79 | CYP1A1 (0.58) | CYP1A1CYP1B1CYP1A2CA9TUBB4A | |
| SCHEMBL721861 | 0.78 | ACHE (0.65) | CYP1A1CYP1B1CYP1A2CA9CA12 | |
| SCHEMBL12844430 | 0.78 | ACHE (0.60) | CA9CA12CA1CA2TUBB4A | |
| SCHEMBL28338665 | 0.78 | HPGD (0.61) | CA9CA12CA1CA2TUBB4A | |
| SCHEMBL14097284 | 0.78 | FYN (0.59) | CA9CA12CA1CA2TUBB4A | |
| SCHEMBL9189216 | 0.77 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2TUBB4ATUBB | |
| SCHEMBL9184487 | 0.77 | TUBB4A (0.67) | CYP1A1CYP1B1CYP1A2TUBB4ATUBB | |
| SCHEMBL615332 | 0.76 | CYP1A1 (0.46) | CYP1A1CYP1B1CYP1A2TUBB4ATUBB | |
| SCHEMBL618529 | 0.76 | PTGS2 (0.51) | CYP1A1CYP1B1CYP1A2TUBB4ATUBB | |
| SCHEMBL1168987 | 0.76 | CYP1A1 (0.46) | CYP1A1CYP1B1CYP1A2TUBB4ATUBB |
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-2019052978-A1 | ELECTRODES FOR ELECTRONIC DEVICES COMPRISING AN ORGANIC SEMICONDUCTING LAYER | MERCK PATENT GMBH (DE) | 2019-03-21 | — | — | WO | disclosed |