Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MITF | O75030 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | CNR1 | P21554 | 2/20 | 0.30 |
| ▸ | CNR2 | P34972 | 2/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16615311 | 0.89 | ALK (0.40) | LMNAPKMALK | |
| SCHEMBL16615076 | 0.86 | ALK (0.33) | LMNAALKALDH1A1 | |
| SCHEMBL17918774 | 0.79 | ALK (0.41) | LMNAPKMALKRAB9ANPC1 | |
| SCHEMBL16615329 | 0.74 | ALK (0.39) | ALK | |
| SCHEMBL16615265 | 0.74 | NPC1 (0.43) | ALKRAB9ANPC1POLBSMN1; SMN2 | |
| SCHEMBL16615276 | 0.73 | ALK (0.32) | ALKCYP2C19MAPT | |
| SCHEMBL16615324 | 0.72 | ALK (0.34) | ALKALDH1A1 | |
| SCHEMBL16615186 | 0.70 | ALK (0.34) | ALKRAB9ANPC1 | |
| SCHEMBL17969732 | 0.69 | ALK (0.48) | LMNAPKMALKMAPK1ALDH1A1 | |
| SCHEMBL16615220 | 0.69 | ALK (0.41) | LMNAALKALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015047133-A1 | NOVEL CHEMICAL COMPOUNDS (VARIANTS) AND THE USE THEREOF TO TREAT ONCOLOGICAL DISEASES | ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ОТЕЧЕСТВЕННЫЕ ФАРМАЦЕВТИЧЕСКИЕ ТЕХНОЛОГИИ" | 2015-04-02 | — | — | WO | disclosed |