Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K8 | P41279 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | KMO | O15229 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PKLR | P30613 | 1/20 | 0.33 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.33 |
| ▸ | PTP4A2 | Q12974 | 1/20 | 0.33 |
| ▸ | PTP4A1 | Q93096 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL14964010 | 0.98 | MAP3K8 (0.35) | MAP3K8MAPK1MAP2K1MAOAKMO | |
| SCHEMBL14964002 | 0.89 | CHEK1 (0.38) | MAPK1ALDH1A1RAB9AKDM4ENPC1 | |
| SCHEMBL14964009 | 0.78 | DHFR (0.39) | MAPK1ALDH1A1KDM4ENPC1MAPT | |
| SCHEMBL14964011 | 0.77 | IKBKB (0.43) | ALDH1A1RAB9AKDM4ENPC1MAPT | |
| SCHEMBL10054164 | 0.77 | LOXL2 (0.34) | MAP3K8MAOAKMOALDH1A1RAB9A | |
| SCHEMBL14964012 | 0.76 | L3MBTL1 (0.48) | MAPK1ALDH1A1RAB9AKDM4ENPC1 | |
| SCHEMBL14964015 | 0.76 | ACHE (0.39) | ALDH1A1RAB9AKDM4ENPC1MAPT | |
| SCHEMBL14964019 | 0.75 | ALDH1A1 (0.42) | ALDH1A1RAB9ANPC1MAPTHPGD | |
| SCHEMBL14964020 | 0.75 | GSTP1 (0.42) | MAOARAB9ANPC1MAPTSMN1; SMN2 | |
| SCHEMBL14964008 | 0.74 | GPR84 (0.38) | KDM4ETSHR |
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-9394406-B2 | Polymers containing substituted benzodithiophene units, blends comprising these polymers, and devices comprising these polymers or blends | MERCK PATENT GMBH (DE) | 2016-07-19 | — | — | US | disclosed |
| US-20130126855-A1 | POLYMERS CONTAINING SUBSTITUTED BENZODITHIOPHENE UNITS, BLENDS COMPRISING THESE POLYMERS, AND DEVICES COMPRISING THESE POLYMERS OR BLENDS | MERCK PATENT GMBH (DE) | 2013-05-23 | — | — | US | disclosed |