Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | POLQ | O75417 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.37 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL28024917 | 0.83 | MT-CO2 (0.32) | LMNAPOLBPAX8 | |
| SCHEMBL18751773 | 0.80 | NPSR1 (0.37) | MEN1KMT2ANPSR1RAB9ACYP3A4 | |
| SCHEMBL27221203 | 0.79 | KMT2A (0.39) | MEN1KMT2ANPSR1RAB9ACYP3A4 | |
| SCHEMBL3621683 | 0.79 | KMT2A (0.39) | MEN1KMT2ANPSR1RAB9ACYP3A4 | |
| SCHEMBL18751642 | 0.79 | MEN1 (0.36) | MEN1KMT2ANPSR1RAB9ACYP3A4 | |
| SCHEMBL2460578 | 0.79 | KMT2A (0.39) | MEN1KMT2ANPSR1RAB9ACYP3A4 | |
| SCHEMBL27536175 | 0.79 | MEN1 (0.41) | MEN1KMT2ANPSR1RAB9ACYP3A4 | |
| SCHEMBL9900418 | 0.78 | LOXL2 (0.40) | CYP3A4CYP2C9SMN1; SMN2L3MBTL1BRD4 | |
| SCHEMBL9899757 | 0.78 | PDK1 (0.42) | BRD4GSK3B | |
| SCHEMBL8736767 | 0.78 | MEN1 (0.43) | MEN1KMT2ANPSR1RAB9ACYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101646652-A | Quinoline derivatives and pharmaceutical compositions comprising them for selectin inhibition | WYETH CORP US | 2010-02-10 | — | — | CN | disclosed |
| EP-1620391-A4 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL MYERS SQUIBB CO (US) | 2007-10-31 | — | — | EP | disclosed |
| EP-1620391-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Bristol-Myers Squibb Company (US) | 2006-02-01 | — | — | EP | disclosed |
| WO-2004098516-A2 | CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-11-18 | — | — | WO | disclosed |