Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | RXFP3 | Q9NSD7 | 1/20 | 0.31 |
| ▸ | GPR6 | P46095 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16615276 | 0.88 | ALK (0.32) | CHRM1CHRM3ALKGPR6 | |
| SCHEMBL17918692 | 0.79 | NPC1 (0.42) | NPC1RAB9ASMN1; SMN2CHRM1CHRM3 | |
| SCHEMBL17969717 | 0.79 | ALK (0.40) | CHRM1CHRM3MEN1KMT2AKDM4E | |
| SCHEMBL16615200 | 0.78 | CHRM1 (0.45) | NPC1RAB9ASMN1; SMN2CHRM1CHRM3 | |
| SCHEMBL16615327 | 0.76 | ALK (0.40) | ALDH1A1ALKKCNH2 | |
| SCHEMBL16615324 | 0.75 | ALK (0.34) | ALDH1A1ALKKCNH2 | |
| SCHEMBL16615266 | 0.75 | LMNA (0.38) | SMN1; SMN2ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL16615336 | 0.74 | LMNA (0.35) | NPC1RAB9ASMN1; SMN2POLBALDH1A1 | |
| SCHEMBL16615186 | 0.72 | ALK (0.34) | NPC1RAB9AALKGPR6 | |
| SCHEMBL17918690 | 0.68 | ALK (0.40) | NPC1RAB9ASMN1; SMN2CHRM1CHRM3 |
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 |