Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | TPMT | P51580 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL26667049 | 0.93 | HPGD (0.48) | ALDH1A1CYP1A2CYP2C9CYP2C19MAPT | |
| SCHEMBL3325627 | 0.87 | TNFSF11 (0.55) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL28316306 | 0.82 | ALOX15 (0.50) | ALDH1A1TSHRSMN1; SMN2HPGDKDM4E | |
| SCHEMBL28096890 | 0.81 | MAPT (0.47) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| Methyl Alcohol SCHEMBL28799088 | 0.81 | CA2 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL8193370 | 0.81 | PYCR1 (0.41) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL20509 | 0.81 | CA2 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL29419589 | 0.81 | CA2 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL28901969 | 0.80 | PDE4B (0.51) | ALDH1A1CYP1A2TSHRHPGDPOLB | |
| SCHEMBL6864775 | 0.80 | KMT2A (0.57) | CYP1A2CYP2C19CYP3A4MAPTSMN1; SMN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112225647-A | Method for synthesizing 5-bromo-2-methoxyphenol | 河南中医药大学 | 2021-01-15 | — | — | CN | disclosed |
| US-5814651-A | PHOSPHODIESTERASE TYPE FOUR INHIBITORS | PFIZER INC. (US) | 1998-09-29 | — | — | US | disclosed |
| US-5563143-A | ANTIINFLAMMATORY AGENTS, AUTOIMMUNE DISORDERS | PFIZER INC. (US) | 1996-10-08 | — | — | US | disclosed |
| EP-0706795-A2 | Catechol diether compounds as inhibitors of TNF release | PFIZER INC. (US) | 1996-04-17 | — | — | EP | disclosed |
| EP-0672031-A1 | CATECHOL DIETHERS AS SELECTIVE PDE IV? INHIBITORS | PFIZER INC. (US) | 1995-09-20 | — | — | EP | disclosed |
| WO-1994012461-A1 | CATECHOL DIETHERS AS SELECTIVE PDEIV INHIBITORS | PFIZER INC. (US) | 1994-06-09 | — | — | WO | disclosed |