Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 8/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL18591656 | 1.00 | CHRNB2 (0.46) | CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2 | |
| SCHEMBL606535 | 0.83 | CHRNB2 (0.49) | CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2 | |
| SCHEMBL19171150 | 0.83 | CTSK (0.31) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL20354392 | 0.80 | CHRNB2 (0.44) | CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2 | |
| SCHEMBL29045709 | 0.80 | CHRNB2 (0.44) | CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2 | |
| SCHEMBL9639334 | 0.79 | CHRNB2 (0.46) | CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2 | |
| SCHEMBL12233187 | 0.78 | CHRNB2 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2 | |
| SCHEMBL10874284 | 0.78 | CHRNB2 (0.45) | CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2 | |
| SCHEMBL11233858 | 0.77 | EPHX1 (0.61) | ACHEEPHX1 | |
| SCHEMBL19234898 | 0.77 | PGK1 (0.40) | ALDH1A1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9944654-B2 | Nargenicin compounds and uses thereof as antibacterial agents | MERCK SHARP & DOHME CORP. (US) | 2018-04-17 | — | — | US | disclosed |