Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 5/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | ALPG | P10696 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28877016 | 0.84 | RAPGEF4 (0.37) | ALDH1A1KDM4EMEN1KMT2AHTT | |
| SCHEMBL372527 | 0.78 | CHAT (0.61) | PTGS2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL889817 | 0.77 | CHAT (0.43) | ALDH1A1KDM4EMEN1KMT2ANFE2L2 | |
| SCHEMBL4462187 | 0.77 | ALDH1A1 (0.44) | PTGS2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL11386724 | 0.76 | RAB9A (0.51) | ALDH1A1KDM4EMEN1KMT2AHTT | |
| SCHEMBL11386719 | 0.76 | RAB9A (0.51) | ALDH1A1KDM4EMEN1KMT2AHTT | |
| SCHEMBL840717 | 0.75 | ACHE (0.43) | ALDH1A1KDM4EMEN1KMT2AHTT | |
| SCHEMBL1982598 | 0.74 | TERT (0.49) | ALDH1A1KDM4EMEN1KMT2AHTT | |
| SCHEMBL11398927 | 0.73 | CYP2A6 (0.47) | PTGS2ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL670010 | 0.73 | TLR9 (0.41) | PTGS2ALDH1A1KDM4EHTTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-20100162416-A1 | Multi-stage stem cell carcinogenesis | STEMLIFELINE, INC. (US) | 2010-06-24 | — | — | US | disclosed |
| WO-2010037134-A2 | MULTI-STAGE STEM CELL CARCINOGENESIS | STEMLIFELINE, INC. (US) | 2010-04-01 | — | — | WO | disclosed |