Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL28104856 | 0.81 | SIGMAR1 (0.39) | SIGMAR1PARP1ATMPOLBALDH1A1 | |
| SCHEMBL29008484 | 0.69 | MAPK1 (0.34) | SIGMAR1PARP1POLBALDH1A1KDM4E | |
| SCHEMBL948765 | 0.69 | SIGMAR1 (0.44) | SIGMAR1ATMPOLBALDH1A1KDM4E | |
| SCHEMBL1906096 | 0.68 | SIGMAR1 (0.41) | SIGMAR1POLBALDH1A1KDM4EKMT2A | |
| SCHEMBL35212079 | 0.68 | SIGMAR1 (0.47) | SIGMAR1POLBKMT2AKCNH2 | |
| SCHEMBL20917618 | 0.68 | SIGMAR1 (0.44) | SIGMAR1PARP1POLBALDH1A1KDM4E | |
| SCHEMBL5323114 | 0.67 | KMT2A (0.49) | SIGMAR1POLBALDH1A1KDM4ECYP2C9 | |
| SCHEMBL4074692 | 0.67 | SIGMAR1 (0.40) | SIGMAR1PARP1POLBALDH1A1KDM4E | |
| SCHEMBL19634954 | 0.66 | KDM4E (0.41) | SIGMAR1PARP1POLBALDH1A1KDM4E | |
| SCHEMBL10454920 | 0.66 | HRH3 (0.72) | SIGMAR1POLBALDH1A1KDM4ECYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970211-A1 | HISTONE DEMETHYLASE INHIBITORS | Quanticel Pharmaceuticals Inc (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014151106-A1 | HISTONE DEMETHYLASE INHIBITORS | Quanticel Pharmaceuticals, Inc. (US) | 2014-09-25 | — | — | WO | disclosed |