Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CPB1 | P15086 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL10107900 | 1.00 | ALDH1A1 (0.48) | ALDH1A1GAATSHRROCK2ADAM17 | |
| SCHEMBL571336 | 1.00 | ALDH1A1 (0.48) | ALDH1A1GAATSHRROCK2ADAM17 | |
| SCHEMBL11932568 | 0.85 | ALDH1A1 (0.53) | ALDH1A1GAATSHRCPB1EPHX1 | |
| SCHEMBL570962 | 0.85 | ALDH1A1 (0.53) | ALDH1A1GAATSHRCPB1EPHX1 | |
| SCHEMBL9254931 | 0.85 | ALDH1A1 (0.48) | ALDH1A1GAATSHRROCK2ADAM17 | |
| SCHEMBL10167612 | 0.81 | ALDH1A1 (0.55) | ALDH1A1GAATSHRNPC1RAB9A | |
| SCHEMBL31141108 | 0.77 | ALDH1A1 (0.54) | ALDH1A1GAATSHRROCK2CPB1 | |
| SCHEMBL571048 | 0.77 | ROCK2 (0.42) | ALDH1A1GAATSHRROCK2ADAM17 | |
| SCHEMBL31641122 | 0.75 | ALDH1A1 (0.58) | ALDH1A1GAATSHRROCK2CPB1 | |
| SCHEMBL12503473 | 0.75 | ROCK2 (0.41) | ALDH1A1GAATSHRROCK2ADAM17 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011044498-A9 | ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS | ACHAOGEN, INC. (US) | 2012-02-09 | — | — | WO | disclosed |
| WO-2011044498-A1 | ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS | ACHAOGEN, INC. (US) | 2011-04-14 | — | — | WO | disclosed |