Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2703947 | 0.98 | CYP2A6 (0.47) | CYP2A6MAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL6766434 | 0.96 | CYP2A6 (0.46) | CYP2A6MAPTHDAC3HDAC4HDAC1 | |
| Hydrochloric Acid SCHEMBL27734063 | 0.96 | CYP2A6 (0.46) | CYP2A6MAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL31287752 | 0.78 | CA2 (0.51) | CYP2A6MAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL288542 | 0.78 | CA1 (0.47) | CYP2A6MAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL1034849 | 0.78 | CA2 (0.51) | CYP2A6MAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL7491058 | 0.78 | CYP2A6 (0.46) | CYP2A6MAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL14089195 | 0.78 | CYP2A6 (0.46) | CYP2A6MAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL29469856 | 0.78 | CA1 (0.47) | CYP2A6MAPTHDAC3HDAC4HDAC1 | |
| SCHEMBL6628789 | 0.77 | CYP2A6 (0.44) | CYP2A6MAPTHDAC3HDAC4HDAC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0891362-B1 | PYRROLOPYRROLONE DERIVATIVES AS INHIBITORS OF NEUTROPHIL ELASTASE | GLAXO GROUP LTD (GB) | 2004-03-17 | — | — | EP | disclosed |
| US-6215002-B1 | CYCLIZATION, DEBLOCKING, DEPROTECTION, SULFONATION, CONDENSATION, AMIDATION; ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS | GLAXO WELLCOME INC. | 2001-04-10 | — | — | US | disclosed |
| US-6057457-A | ENZYME INHIBITORS FOR PROTEASE OR ENZYMES OF HYDROLYSIS | GLAXO WELLCOME INC. (US) | 2000-05-02 | — | — | US | disclosed |
| US-5994344-A | BRONCHITIS THERAPY | GLAXO WELLCOME INC. (US) | 1999-11-30 | — | — | US | disclosed |