Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL801244 | 0.90 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TDP1TSHRMEN1 | |
| SCHEMBL31143401 | 0.90 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TDP1TSHRMEN1 | |
| SCHEMBL30135192 | 0.81 | — | — | |
| SCHEMBL1156177 | 0.81 | — | — | |
| SCHEMBL15840051 | 0.76 | ALDH1A1 (0.47) | ALDH1A1CYP3A4TDP1TSHRMEN1 | |
| SCHEMBL913434 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CYP3A4TDP1TSHRGAA | |
| SCHEMBL15545143 | 0.74 | ALDH1A1 (0.42) | ALDH1A1TDP1TSHRMEN1KMT2A | |
| SCHEMBL15545142 | 0.74 | ALDH1A1 (0.42) | ALDH1A1TDP1TSHRMEN1KMT2A | |
| SCHEMBL9974734 | 0.73 | ALDH1A1 (0.46) | ALDH1A1CYP3A4TDP1TSHRMEN1 | |
| SCHEMBL29606539 | 0.72 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TDP1TSHRMEN1 |
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-1047690-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 2000-11-02 | — | — | EP | disclosed |
| EP-0970083-A1 | 7a-HETEROCYCLE-SUBSTITUTED HEXAHYDRO-1H-PYRROLIZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | Abbott Laboratories (US) | 2000-01-12 | — | — | EP | disclosed |
| WO-1999032480-A1 | HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1999-07-01 | — | — | WO | disclosed |
| WO-1998037082-A1 | 7a-HETEROCYCLE-SUBSTITUTED HEXAHYDRO-1H-PYRROLIZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION | ABBOTT LABORATORIES (US) | 1998-08-27 | — | — | WO | disclosed |