Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 3/20 | 0.48 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.48 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.48 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL278150 | 0.78 | CHRM2 (0.52) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL5810929 | 0.75 | ALDH1A1 (0.42) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL11726006 | 0.74 | CHRM2 (0.48) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL17749049 | 0.74 | CHRM2 (0.48) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL25405933 | 0.72 | KMT2A (0.32) | KMT2AATMLMNA | |
| SCHEMBL1692728 | 0.70 | GSK3A (0.46) | ALDH1A1NPSR1KMT2AMEN1TSHR | |
| SCHEMBL9031379 | 0.69 | CHRM2 (0.59) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL163174 | 0.69 | — | — | |
| SCHEMBL10699322 | 0.68 | MGLL (0.46) | ALDH1A1NPSR1CYP1A2CYP2C19KMT2A | |
| SCHEMBL28190184 | 0.68 | GSK3A (0.53) | ALDH1A1CYP1A2KMT2ALMNAMEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103313968-A | Nampt and rock inhibitors | ABBVIE LAB | 2013-09-18 | — | — | CN | disclosed |
| WO-2004022536-A1 | NEW HETEROCYCLIC AMIDE COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLENMARK PHARMACEUTICALS LIMITED (US) | 2004-03-18 | — | — | WO | disclosed |
| US-4621145-A | Process for preparing 5-vinyl-2-pyrrolidinone and intermediates therefor | MERRELL DOW PHARMACEUTICALS INC. (US) | 1986-11-04 | — | — | US | disclosed |
| EP-0116257-B1 | PROCESS FOR PREPARING 4-AMINO-5-HEXENOIC ACID | MERRELL DOW FRANCE ET CIE (FR) | 1986-08-27 | — | — | EP | disclosed |
| EP-0116257-A1 | Process for preparing 4-amino-5-hexenoic acid | MERRELL DOW FRANCE ET CIE (FR) | 1984-08-22 | — | — | EP | disclosed |