Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.37 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.37 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.37 |
| ▸ | ALPL | P05186 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | TYMP | P19971 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14964009 | 0.92 | DHFR (0.39) | DHFRALDH1A1CYP2A6KDM4EHPGD | |
| SCHEMBL14964007 | 0.92 | HPRT1 (0.44) | DHFRALDH1A1CYP2A6HPGDHSD17B10 | |
| SCHEMBL14964014 | 0.91 | ENPP3 (0.43) | DHFRCA12CA1CA2CA9 | |
| SCHEMBL10054167 | 0.79 | DHFR (0.37) | DHFRALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL10054142 | 0.79 | DHFR (0.37) | DHFRALDH1A1KDM4EHPGDHSD17B10 | |
| SCHEMBL14964005 | 0.79 | GAA (0.41) | ALDH1A1CYP2A6KDM4EHPGDHSD17B10 | |
| SCHEMBL14964019 | 0.77 | ALDH1A1 (0.42) | ALDH1A1CYP2A6HPGDHSD17B10GAA | |
| SCHEMBL14964021 | 0.76 | ALDH1A1 (0.41) | ALDH1A1CYP2A6HPGDHSD17B10MAOA | |
| SCHEMBL14964008 | 0.75 | GPR84 (0.38) | KDM4EGPR84CYP1A2MEN1KMT2A | |
| SCHEMBL10054165 | 0.73 | KCNQ3 (0.37) | DHFRALDH1A1KDM4EHPGDHSD17B10 |
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 |