Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 12/20 | 0.60 |
| ▸ | CHRNA4 | P43681 | 12/20 | 0.60 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.47 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.47 |
| ▸ | LGMN | Q99538 | 1/20 | 0.40 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30665753 | 0.82 | CHRNB2 (0.77) | CHRNB2CHRNA4CHRNB4CHRNA3ADAMTS5 | |
| SCHEMBL1980777 | 0.82 | CHRNB2 (0.77) | CHRNB2CHRNA4CHRNB4CHRNA3MAPT | |
| SCHEMBL2067959 | 0.82 | CHRNB2 (0.77) | CHRNB2CHRNA4CHRNB4CHRNA3ADAMTS5 | |
| SCHEMBL3361367 | 0.81 | CHRNB2 (0.74) | CHRNB2CHRNA4CHRNB4CHRNA3MAPT | |
| SCHEMBL30665760 | 0.81 | CHRNB2 (0.74) | CHRNB2CHRNA4CHRNB4CHRNA3MAPT | |
| SCHEMBL30066253 | 0.78 | CHRNB2 (0.81) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| SCHEMBL2257074 | 0.78 | CHRNB2 (0.60) | CHRNB2CHRNA4CHRNB4CHRNA3ADAMTS5 | |
| SCHEMBL100931 | 0.78 | CHRNB2 (0.60) | CHRNB2CHRNA4CHRNB4CHRNA3MAPT | |
| SCHEMBL3067811 | 0.78 | CHRNB2 (0.81) | CHRNB2CHRNA4CHRNB4CHRNA3CHRNA1 | |
| SCHEMBL31500376 | 0.76 | CHRNB2 (0.58) | CHRNB2CHRNA4CHRNB4CHRNA3ADAMTS5 |
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-3209665-B1 | SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2019-08-14 | — | — | EP | disclosed |
| WO-2010100144-A1 | FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE | MERCK SERONO S.A. (CH) | 2010-09-10 | — | — | WO | disclosed |