Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HRH2 | P25021 | 3/20 | 0.41 |
| ▸ | HRH1 | P35367 | 3/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 3/20 | 0.38 |
| ▸ | CNR2 | P34972 | 3/20 | 0.38 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 3/20 | 0.36 |
| ▸ | CCKBR | P32239 | 2/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL3722697 | 1.00 | HTT (0.41) | HTTSMN1; SMN2HRH2HRH1TRPV1 | |
| SCHEMBL3424526 | 0.86 | TBXAS1 (0.36) | CNR1CNR2PARP1 | |
| SCHEMBL3424523 | 0.86 | TBXAS1 (0.36) | CNR1CNR2PARP1 | |
| SCHEMBL675862 | 0.86 | HTT (0.41) | HTTSMN1; SMN2HRH2HRH1TRPV1 | |
| SCHEMBL675861 | 0.86 | HTT (0.41) | HTTSMN1; SMN2HRH2HRH1TRPV1 | |
| SCHEMBL3728130 | 0.85 | HTT (0.43) | HTTSMN1; SMN2HRH2HRH1CNR2 | |
| SCHEMBL676740 | 0.84 | ALK (0.51) | HTTSMN1; SMN2HRH2HRH1TRPV1 | |
| SCHEMBL676739 | 0.84 | ALK (0.51) | HTTSMN1; SMN2HRH2HRH1TRPV1 | |
| SCHEMBL675016 | 0.82 | HTT (0.48) | HTTSMN1; SMN2HRH1PARP1MCHR1 | |
| SCHEMBL3725521 | 0.79 | CNR1 (0.52) | TRPV1CNR1CNR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8895744-B2 | Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl | UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) | 2014-11-25 | — | — | US | 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 |