Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.37 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL436938 | 0.82 | ALDH1A1 (0.46) | CHRM2CHRM1ALDH1A1KDM4EPOLB | |
| SCHEMBL4398417 | 0.80 | DRD2 (0.38) | POLBKMT2AOPRD1MEN1 | |
| SCHEMBL6026483 | 0.80 | KMT2A (0.47) | CHRM2CHRM1ALDH1A1KDM4EPOLB | |
| SCHEMBL27732130 | 0.79 | ALDH1A1 (0.43) | CHRM2CHRM1ALDH1A1KDM4EPOLB | |
| SCHEMBL11312006 | 0.78 | ALDH1A1 (0.43) | CHRM2CHRM1ALDH1A1KDM4EPOLB | |
| SCHEMBL6026163 | 0.78 | ALDH1A1 (0.43) | CHRM2CHRM1ALDH1A1KDM4EPOLB | |
| SCHEMBL4656852 | 0.78 | KMT2A (0.46) | CHRM2CHRM1ALDH1A1KDM4EPOLB | |
| SCHEMBL2316273 | 0.78 | ALDH1A1 (0.43) | CHRM2CHRM1ALDH1A1KDM4EPOLB | |
| SCHEMBL26022336 | 0.78 | KMT2A (0.46) | CHRM2CHRM1ALDH1A1KDM4EPOLB | |
| SCHEMBL29111135 | 0.78 | CHRM2 (0.44) | CHRM2CHRM1ALDH1A1KDM4EPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006066183-A2 | NOVEL SAFRAMYCIN ANALOGS AS THERAPEUTIC AGENTS | AXYS PHARMACEUTICALS, INC. (US) | 2006-06-22 | — | — | WO | claimed |
| WO-2006066183-A2 | NOVEL SAFRAMYCIN ANALOGS AS THERAPEUTIC AGENTS | AXYS PHARMACEUTICALS, INC. (US) | 2006-06-22 | — | — | WO | disclosed |
| WO-2005118584-A2 | SAFRAMYCIN ANALOGS AS THERAPEUTIC AGENTS IN THE TREATMENT OF CANCER | AXYS PHARMACEUTICALS, INC. (US) | 2005-12-15 | — | — | WO | disclosed |