Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.32 |
| ▸ | ANPEP | P15144 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL26694944 | 0.90 | POLB (0.35) | POLBATMTSHRCYP1A2TDP1 | |
| SCHEMBL18952875 | 0.90 | POLB (0.35) | POLBATMTSHRCYP1A2TDP1 | |
| SCHEMBL21045619 | 0.90 | POLB (0.35) | POLBATMTSHRCYP1A2TDP1 | |
| SCHEMBL26089875 | 0.89 | ATM (0.47) | POLBATMKMT2AMEN1TSHR | |
| SCHEMBL28459854 | 0.79 | HSD17B10 (0.46) | — | |
| SCHEMBL20583848 | 0.79 | HSD17B10 (0.46) | — | |
| SCHEMBL2160091 | 0.78 | AGTR2 (0.49) | POLBATMKMT2ACYP1A2TDP1 | |
| SCHEMBL28722450 | 0.74 | CA1 (0.39) | POLBATMKMT2AMEN1TSHR | |
| SCHEMBL28722446 | 0.74 | CA1 (0.39) | POLBATMKMT2AMEN1TSHR | |
| SCHEMBL27575545 | 0.74 | CYP1A2 (0.36) | POLBATMCYP1A2TDP1AGTR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101600691-A | Acyclic derivatives as modulators of chemokine receptor activity | BRISTOL MYERS SQUIBB CO (US) | 2009-12-09 | — | — | CN | disclosed |