Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 5/20 | 0.39 |
| ▸ | HRH1 | P35367 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SCN1A | P35498 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 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 | |
|---|---|---|---|---|
| SCHEMBL1293020 | 0.76 | SIGMAR1 (0.61) | SIGMAR1HTR2AHRH1POLBLMNA | |
| SCHEMBL20008295 | 0.75 | CYP1A2 (0.38) | MAPTLMNAALDH1A1KDM4ECYP19A1 | |
| SCHEMBL20385529 | 0.73 | SLC6A2 (0.64) | SIGMAR1HTR2AHRH1LMNAALDH1A1 | |
| SCHEMBL22363336 | 0.73 | FAAH (0.39) | LMNAKDM4ECYP19A1CYP1A2CYP2D6 | |
| Butane SCHEMBL16459462 | 0.73 | SIGMAR1 (0.57) | SIGMAR1HTR2AHRH1POLBLMNA | |
| SCHEMBL29899118 | 0.72 | HTR2C (0.40) | MAPTLMNAALDH1A1KCNN4KCNA5 | |
| SCHEMBL3792936 | 0.71 | ATM (0.39) | CYP19A1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL22692965 | 0.71 | FAAH (0.40) | LMNAALDH1A1KDM4ECYP19A1CYP1A2 | |
| Dimethylamine SCHEMBL8179268 | 0.71 | HRH1 (0.64) | SIGMAR1HTR2AHRH1POLBMAPT | |
| SCHEMBL81907 | 0.70 | SIGMAR1 (0.64) | SIGMAR1HTR2AHRH1LMNACYP19A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6525204-B1 | Oximination reaction of nitro-o-methylphenyl compound with organic nitrite; cyclization with alkene in basic catalyst presence; reduction, bromination, oxidation, carboxylation | BASF AKTIENGESELLSCHAFT (DE) | 2003-02-25 | — | — | US | disclosed |