Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 8/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | NQO2 | P16083 | 6/20 | 0.37 |
| ▸ | ABL1 | P00519 | 3/20 | 0.37 |
| ▸ | BCR | P11274 | 3/20 | 0.37 |
| ▸ | TTR | P02766 | 3/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.37 |
| ▸ | TUBB | P07437 | 1/20 | 0.37 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.37 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.37 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8315265 | 1.00 | PARP1 (0.46) | PARP1CYP1A1CYP1B1CYP1A2NQO2 | |
| SCHEMBL8317005 | 0.88 | KDM4E (0.42) | CYP1A1CYP1B1CYP1A2NQO2ABL1 | |
| SCHEMBL8317001 | 0.88 | KDM4E (0.42) | CYP1A1CYP1B1CYP1A2NQO2ABL1 | |
| Hydrochloric Acid SCHEMBL8311790 | 0.88 | RELA (0.42) | CYP1A1CYP1B1CYP1A2NQO2CYP19A1 | |
| Hydrochloric Acid SCHEMBL8311789 | 0.88 | RELA (0.42) | CYP1A1CYP1B1CYP1A2NQO2CYP19A1 | |
| SCHEMBL8314240 | 0.86 | KDM4E (0.45) | CYP1A1CYP1B1CYP1A2NQO2CYP19A1 | |
| SCHEMBL8314245 | 0.86 | KDM4E (0.45) | CYP1A1CYP1B1CYP1A2NQO2CYP19A1 | |
| Hydrochloric Acid SCHEMBL8459129 | 0.85 | KDM4E (0.44) | CYP1A1CYP1B1CYP1A2TUBB4ATUBB | |
| Hydrochloric Acid SCHEMBL8459126 | 0.85 | KDM4E (0.44) | CYP1A1CYP1B1CYP1A2TUBB4ATUBB | |
| SCHEMBL9694219 | 0.82 | ALDH1A1 (0.45) | CYP1A1CYP1B1CYP1A2NQO2TTR |
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-0351856-B1 | Thiazolo[5,4-b]azepine compounds | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1999-09-15 | — | — | EP | disclosed |
| US-4956360-A | LIPOPEROXIDE INHIBITORS, ENZYME INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1990-09-11 | — | — | US | disclosed |