Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.70 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.70 |
| ▸ | LTA4H | P09960 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HTR3A | P46098 | 1/20 | 0.52 |
| ▸ | BACE1 | P56817 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL22398114 | 0.91 | ESR1 (0.57) | ESR1ESR2CA2ADRA2ASLC6A2 | |
| SCHEMBL9130789 | 0.91 | ESR1 (0.56) | ESR1ESR2LTA4HCA2ADRA2A | |
| SCHEMBL9128639 | 0.85 | ESR1 (0.70) | ESR1ESR2ALDH1A1CYP3A4CYP17A1 | |
| SCHEMBL151822 | 0.84 | LOXL2 (0.68) | ALDH1A1LOXL2CYP2C19L3MBTL1TDP1 | |
| SCHEMBL69344 | 0.84 | ESR1 (1.00) | ESR1ESR2LTA4HCA2ADRA2A | |
| SCHEMBL3873458 | 0.84 | ESR1 (1.00) | ESR1ESR2LTA4HCA2ADRA2A | |
| Water SCHEMBL31124596 | 0.81 | LOXL2 (0.65) | ALDH1A1LOXL2CYP2C19L3MBTL1TDP1 | |
| Water SCHEMBL31124597 | 0.81 | LOXL2 (0.65) | ALDH1A1LOXL2CYP2C19L3MBTL1TDP1 | |
| Ammonia Solution, Strong SCHEMBL9306930 | 0.81 | LOXL2 (0.65) | ALDH1A1LOXL2CYP2C19L3MBTL1TDP1 | |
| SCHEMBL5066650 | 0.80 | ALDH1A1 (0.58) | CA2KDM4EALDH1A1TAAR1TMEM97 |
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-0559695-B1 | NEW PYRIDINE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS | BOEHRINGER MANNHEIM GMBH (DE) | 1997-01-22 | — | — | EP | disclosed |
| US-5399575-A | Antiallergens | BOEHRINGER MANNHEIM GMBH (DE) | 1995-03-21 | — | — | US | disclosed |
| EP-0559695-A1 | NEW PYRIDINE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS. | BOEHRINGER MANNHEIM GMBH (DE) | 1993-09-15 | — | — | EP | disclosed |
| WO-1992009598-A1 | NEW PYRIDINE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS DRUGS | BOEHRINGER MANNHEIM GMBH (DE) | 1992-06-11 | — | — | WO | disclosed |