Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.61 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.47 |
| ▸ | TUBB4A | P04350 | 4/20 | 0.41 |
| ▸ | TUBB | P07437 | 4/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 4/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 4/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 4/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 4/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 4/20 | 0.41 |
| ▸ | TUBB2A | Q13885 | 4/20 | 0.41 |
| ▸ | TUBB8 | Q3ZCM7 | 4/20 | 0.41 |
| ▸ | TUBA3E | Q6PEY2 | 4/20 | 0.41 |
| ▸ | TUBA1A | Q71U36 | 4/20 | 0.41 |
| ▸ | TUBA1C | Q9BQE3 | 4/20 | 0.41 |
| ▸ | TUBB6 | Q9BUF5 | 4/20 | 0.41 |
| ▸ | TUBB2B | Q9BVA1 | 4/20 | 0.41 |
| ▸ | TUBB1 | Q9H4B7 | 4/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL10044958 | 0.80 | CYP1A2 (0.65) | CYP1A2CYP1A1CYP1B1TUBB4ATUBB | |
| SCHEMBL643649 | 0.78 | CYP1A2 (0.62) | CYP1A2CYP1A1CYP1B1TUBB4ATUBB | |
| SCHEMBL900838 | 0.78 | ALDH1A1 (0.42) | CYP1A2CYP1A1CYP1B1CYP3A4CA9 | |
| SCHEMBL686849 | 0.76 | CYP1A2 (0.64) | CYP1A2CYP1A1CYP1B1TUBB4ATUBB | |
| SCHEMBL14655675 | 0.76 | CYP1A2 (1.00) | CYP1A2 | |
| SCHEMBL6995301 | 0.75 | CYP1A2 (0.54) | CYP1A2CYP1A1CYP1B1TUBB4ATUBB | |
| SCHEMBL13027291 | 0.74 | CYP1A2 (0.57) | CYP1A2CYP1A1CYP1B1TUBB4ATUBB | |
| SCHEMBL900573 | 0.74 | PTGS2 (0.59) | TUBB4ATUBBTUBA3CTUBA1BTUBA4A | |
| SCHEMBL11567490 | 0.73 | SMN1; SMN2 (0.47) | CYP1A2CYP3A4 | |
| SCHEMBL397760 | 0.73 | HTR2A (0.63) | CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2621922-A1 | A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS | BASF SE (DE) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012041858-A1 | A PROCESS FOR THE SYNTHESIS OF THIO-TRIAZOLO-GROUP CONTAINING COMPOUNDS | BASF SE (DE) | 2012-04-05 | — | — | WO | disclosed |