Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SYK | P43405 | 6/20 | 0.40 |
| ▸ | SLC11A2 | P49281 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | FNTA | P49354 | 1/20 | 0.39 |
| ▸ | FNTB | P49356 | 1/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.37 |
| ▸ | INCENP | Q9NQS7 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16797346 | 0.87 | ALOX5 (0.46) | CHEK1KDM4ESYKSLC11A2CYP11B1 | |
| SCHEMBL16797271 | 0.77 | FNTA (0.47) | ELANEKDM4EPOLBFNTAFNTB | |
| SCHEMBL18150650 | 0.75 | KDM1A (0.61) | CYP11B1CYP11B2 | |
| SCHEMBL16797296 | 0.69 | KDM1A (0.61) | POLBALDH1A1 | |
| SCHEMBL23453723 | 0.68 | AR (0.44) | ELANE | |
| SCHEMBL3648379 | 0.67 | PARP10 (0.66) | PPARGKDM4EHPGDNPC1ALDH1A1 | |
| SCHEMBL30689371 | 0.67 | KDM4E (0.59) | KDM4ECYP11B1CYP11B2HPGDALDH1A1 | |
| SCHEMBL1680670 | 0.67 | KDM4E (0.59) | KDM4ECYP11B1CYP11B2HPGDALDH1A1 | |
| SCHEMBL14705880 | 0.67 | ELANE (0.46) | ELANEKDM4EFNTAFNTBHPGD | |
| SCHEMBL16260565 | 0.67 | KDM4E (0.57) | CHEK1KDM4EPOLBHPGDNPC1 |
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-3080100-A1 | INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 | Celgene Quanticel Research, Inc. (US) | 2016-10-19 | — | — | EP | disclosed |
| WO-2015089192-A1 | INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 | Quanticel Pharmaceuticals, Inc. (US) | 2015-06-18 | — | — | WO | disclosed |