Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCL8 | P10145 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1888587 | 0.84 | CXCL8 (0.57) | CXCL8ALDH1A1HPGDPOLBCYP2C19 | |
| SCHEMBL11686239 | 0.84 | ALDH1A1 (0.50) | CXCL8ALDH1A1HPGDPOLBCYP2C19 | |
| SCHEMBL15881585 | 0.84 | ALDH1A1 (0.53) | ALDH1A1HPGDPOLBCYP2C19TSHR | |
| SCHEMBL757161 | 0.83 | MAPT (0.57) | ALDH1A1HPGDPOLBCYP2C19TSHR | |
| SCHEMBL6121220 | 0.83 | CXCL8 (0.54) | CXCL8ALDH1A1HPGDHSD17B10MAPT | |
| SCHEMBL11347940 | 0.83 | MDM4 (0.57) | CXCL8ALDH1A1HPGDPOLBCYP2C19 | |
| SCHEMBL28913568 | 0.83 | ALDH1A1 (0.53) | ALDH1A1HPGDPOLBCYP2C19TSHR | |
| SCHEMBL7403376 | 0.81 | ALDH1A1 (0.55) | ALDH1A1HPGDPOLBCYP2C19TSHR | |
| SCHEMBL11400557 | 0.81 | CXCL8 (0.52) | CXCL8MAPTSMN1; SMN2RECQLLMNA | |
| SCHEMBL28593578 | 0.81 | CXCL8 (0.52) | CXCL8HPGDPOLBCYP2C19SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2401258-A1 | IONIC LIQUID SOLVENTS | Dublin City University (IE) | 2012-01-04 | — | — | EP | disclosed |
| EP-1346982-B1 | VLA-4 INHIBITORS | DAIICHI SEIYAKU CO (JP) | 2011-09-14 | — | — | EP | disclosed |
| WO-2010097412-A1 | IONIC LIQUID SOLVENTS | DUBLIN CITY UNIVERSITY (IE) | 2010-09-02 | — | — | WO | disclosed |