Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.54 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.54 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | AGXT | P21549 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | FCER2 | P06734 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5962350 | 0.81 | CYP2A6 (0.58) | CYP2A6ADRB2ASIC3LOXL2AGXT | |
| SCHEMBL30905568 | 0.78 | CYP2A6 (0.59) | CYP2A6ADRB2ASIC3LOXL2AGXT | |
| SCHEMBL19760753 | 0.78 | CYP2A6 (0.59) | CYP2A6ADRB2ASIC3LOXL2AGXT | |
| SCHEMBL20912808 | 0.78 | CYP2A6 (0.59) | CYP2A6ADRB2ASIC3LOXL2AGXT | |
| SCHEMBL6637521 | 0.78 | CYP2A6 (0.59) | CYP2A6ADRB2ASIC3LOXL2AGXT | |
| SCHEMBL5540703 | 0.78 | CYP2A6 (0.55) | CYP2A6ADRB2ASIC3LOXL2AGXT | |
| SCHEMBL3459782 | 0.78 | CYP2A6 (0.59) | CYP2A6ADRB2ASIC3LOXL2AGXT | |
| SCHEMBL18330737 | 0.77 | CYP2A6 (0.47) | CYP2A6ADRB2ASIC3LOXL2AGXT | |
| Hydrochloric Acid SCHEMBL28235220 | 0.76 | CYP2A6 (0.61) | CYP2A6ADRB2ASIC3LOXL2AGXT | |
| SCHEMBL9602507 | 0.74 | AGXT (0.58) | CYP2A6ADRB2ASIC3LOXL2AGXT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0279263-B1 | INDOLE, BENZOFURAN, BENZOTHIOPHENE CONTAINING LIPOXYGENASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1993-08-04 | — | — | EP | disclosed |
| US-4873259-A | Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds | ABBOTT LABORATORIES (US) | 1989-10-10 | — | — | US | disclosed |
| EP-0279263-A2 | Indole, benzofuran, benzothiophene containing lipoxygenase inhibiting compounds | ABBOTT LABORATORIES (US) | 1988-08-24 | — | — | EP | disclosed |