Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LSS | P48449 | 1/20 | 0.47 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 3/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.39 |
| ▸ | ATR | Q13535 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL675132 | 0.89 | ACHE (0.47) | ACHESMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL675184 | 0.83 | LSS (0.46) | LSSCXCR1ACHEMAOAATM | |
| SCHEMBL3733141 | 0.83 | LSS (0.42) | LSSMAOAATMCHEK2SMN1; SMN2 | |
| SCHEMBL676066 | 0.81 | ALK (0.53) | LSSCXCR1ACHEMAOAATM | |
| SCHEMBL675220 | 0.81 | ALK (0.48) | ACHEKDM4EALDH1A1HSD17B10 | |
| SCHEMBL3725897 | 0.80 | LSS (0.39) | LSSMAOAATMCHEK2SMN1; SMN2 | |
| SCHEMBL3725895 | 0.80 | LSS (0.39) | LSSMAOAATMCHEK2SMN1; SMN2 | |
| SCHEMBL6220994 | 0.79 | LSS (0.52) | LSSCXCR1ACHE | |
| SCHEMBL6503218 | 0.79 | TNK2 (0.47) | LSSCXCR1ACHEMAOACHEK2 | |
| SCHEMBL675056 | 0.79 | HRH4 (0.52) | CXCR1ACHETLR8TLR7NPC1 |
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-2010025872-A2 | ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL | UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) | 2010-03-11 | — | — | WO | disclosed |
| EP-2161271-A1 | Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl | Università Degli Studi Di Milano - Bicocca (IT) | 2010-03-10 | — | — | EP | disclosed |