Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5951389 | 0.82 | ACHE (0.51) | ACHECYP19A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1582845 | 0.81 | CYP19A1 (0.43) | ACHECYP19A1HTR2BTSHRKMT2A | |
| SCHEMBL14939214 | 0.81 | ACHE (0.62) | ACHECYP19A1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5951729 | 0.80 | CYP19A1 (0.45) | ACHECYP19A1HTR2BTSHRKMT2A | |
| SCHEMBL14939420 | 0.80 | CYP19A1 (0.45) | ACHECYP19A1HTR2BTSHRKMT2A | |
| SCHEMBL14940317 | 0.80 | CYP19A1 (0.57) | ACHECYP19A1HTR2BTSHRKMT2A | |
| SCHEMBL6936179 | 0.75 | ACHE (1.00) | ACHEHTR2BHTR2AHTR2CALDH1A1 | |
| SCHEMBL30666460 | 0.75 | ACHE (1.00) | ACHEHTR2BHTR2AHTR2CALDH1A1 | |
| SCHEMBL29165047 | 0.74 | MAOB (0.51) | ACHECYP19A1LMNACYP3A4MAPT | |
| SCHEMBL25269938 | 0.74 | ACHE (0.66) | ACHEHTR2BKMT2AHTR2AHTR2C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013068785-A1 | INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS | ACTELION PHARMACEUTICALS LTD (CH) | 2013-05-16 | — | — | WO | disclosed |
| WO-2008115141-A1 | 4, 5-DIHYDRO-1,3-THIAZOL-2-AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF RESPIRATORY, CARDIOVASCULAR, NEUROLOGICAL OR GASTROINTESTINAL DISORDERS | ALBIREO AB (SE) | 2008-09-25 | — | — | WO | disclosed |