Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.37 |
| ▸ | SRC | P12931 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.34 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.34 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.34 |
| ▸ | DCTPP1 | Q9H773 | 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 | |
|---|---|---|---|---|
| SCHEMBL676078 | 0.88 | ALDH1A1 (0.40) | ALDH1A1HPGDTSHRHSD17B10KAT6A | |
| SCHEMBL3668236 | 0.86 | HTR6 (0.46) | SRCCXCL8NOD1 | |
| SCHEMBL3666385 | 0.82 | SRC (0.38) | ALDH1A1HPGDTSHRHSD17B10KAT6A | |
| SCHEMBL675472 | 0.82 | SRC (0.43) | SRC | |
| SCHEMBL3664606 | 0.81 | ALDH1A1 (0.37) | ALDH1A1HPGDTSHRHSD17B10KAT6A | |
| SCHEMBL3721458 | 0.81 | CNR2 (0.37) | ALDH1A1HPGDTSHRHSD17B10KAT6A | |
| SCHEMBL675245 | 0.79 | HTR6 (0.45) | ALDH1A1TSHRKAT6AMAPTCXCL8 | |
| SCHEMBL675280 | 0.79 | HTR6 (0.44) | SRCMAPTSMN1; SMN2LMNACXCL8 | |
| SCHEMBL676831 | 0.78 | ALDH1A1 (0.38) | ALDH1A1HPGDTSHRHSD17B10KAT6A | |
| SCHEMBL676610 | 0.77 | ALDH1A1 (0.45) | ALDH1A1MAPTNOD1DCTPP1 |
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 |