Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 6/20 | 0.44 |
| ▸ | F2 | P00734 | 3/20 | 0.44 |
| ▸ | CTSG | P08311 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.43 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | MMP7 | P09237 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL115758 | 1.00 | ALDH1A1 (0.44) | ALDH1A1NPSR1ELANEF2CTSG | |
| SCHEMBL3398953 | 0.92 | ALDH1A1 (0.46) | ALDH1A1NPSR1TP53CHRM5CHRM1 | |
| SCHEMBL116053 | 0.92 | ALDH1A1 (0.46) | ALDH1A1NPSR1TP53CHRM5CHRM1 | |
| SCHEMBL178628 | 0.88 | ABCB1 (0.44) | ALDH1A1NPSR1ELANEF2CTSG | |
| SCHEMBL18569448 | 0.86 | ELANE (0.50) | ELANEF2CTSGHCRTR2 | |
| SCHEMBL16402963 | 0.86 | ELANE (0.50) | ELANEF2CTSGHCRTR2 | |
| SCHEMBL116041 | 0.84 | AGTR2 (0.48) | ALDH1A1NPSR1TP53CHRM5CHRM1 | |
| SCHEMBL116032 | 0.83 | BDKRB2 (0.47) | ALDH1A1NPSR1TP53CHRM5CHRM1 | |
| SCHEMBL3400542 | 0.83 | ABCB1 (0.45) | ALDH1A1NPSR1TP53CHRM5CHRM1 | |
| SCHEMBL115938 | 0.83 | ABCB1 (0.45) | ALDH1A1NPSR1TP53CHRM5CHRM1 |
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-2250171-A2 | ANTIBACTERIAL FLUOROQUINOLONE ANALOGS | Achaogen, Inc. (US) | 2010-11-17 | — | — | EP | disclosed |
| WO-2009137130-A2 | ANTIBACTERIAL FLUOROQUINOLONE ANALOGS | ACHAOGEN, INC. (US) | 2009-11-12 | — | — | WO | disclosed |