Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CHUK | O15111 | 1/20 | 0.34 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1798016 | 0.75 | CHUK (0.57) | CHRNB2CHRNA4CHUKDYRK1A | |
| SCHEMBL24276980 | 0.67 | DYRK1A (0.45) | CHRNB2CHRNA4CYP2D6HTR2AHTR2C | |
| SCHEMBL24276793 | 0.65 | HPGD (0.46) | CHRNB2CHRNA4CYP2D6HTR2AHTR2C | |
| SCHEMBL11457404 | 0.65 | KDM4E (0.51) | CHRNB2CHRNA4KDM4EALDH1A1 | |
| SCHEMBL1797233 | 0.64 | CHUK (0.53) | CHUKDYRK1A | |
| SCHEMBL24277252 | 0.64 | HPGD (0.47) | CHRNB2CHRNA4CYP2D6HTR2AHTR2C | |
| Bauerine B SCHEMBL3305155 | 0.63 | SIRT2 (0.44) | AAK1ROCK2DYRK1A | |
| SCHEMBL24277260 | 0.62 | HASPIN (0.45) | CYP2D6HTR2AHTR2CDYRK1A | |
| SCHEMBL1609661 | 0.62 | ADORA3 (0.54) | ROCK2DYRK1A | |
| SCHEMBL15779128 | 0.61 | CHRNB2 (0.53) | CHRNB2CHRNA4KDM4ENTRK1ROCK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2206713-A1 | Beta-carbolines useful for treating inflammatory disease | Millennium Pharmaceuticals, Inc. (US) | 2010-07-14 | — | — | EP | disclosed |