Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ3 | O43525 | 1/20 | 0.50 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.50 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.46 |
| ▸ | UBE2T | Q9NPD8 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 8/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL22664052 | 0.86 | KCNQ3 (0.54) | KCNQ3KCNQ2TRPV1MAPTKDM4E | |
| SCHEMBL24645772 | 0.78 | MAPT (0.67) | KCNQ3KCNQ2TRPV1MAPTKDM4E | |
| SCHEMBL4969527 | 0.77 | KCNQ3 (0.60) | KCNQ3KCNQ2TRPV1MAPTKDM4E | |
| SCHEMBL20209108 | 0.76 | GFER (0.58) | MAPTKDM4ERAB9AL3MBTL1ALDH1A1 | |
| SCHEMBL4082931 | 0.76 | KCNQ3 (0.48) | KCNQ3KCNQ2TRPV1UBE2TMAPT | |
| Hydrochloric Acid SCHEMBL23246065 | 0.75 | UBE2T (0.59) | KCNQ3KCNQ2TRPV1UBE2TMAPT | |
| Hydrochloric Acid SCHEMBL29618429 | 0.75 | UBE2T (0.59) | KCNQ3KCNQ2TRPV1UBE2TMAPT | |
| SCHEMBL13006763 | 0.74 | MAPT (0.49) | KCNQ3KCNQ2TRPV1UBE2TMAPT | |
| SCHEMBL27961413 | 0.74 | KCNQ3 (0.56) | KCNQ3KCNQ2TRPV1MAPTKDM4E | |
| SCHEMBL14504200 | 0.73 | KCNQ3 (0.44) | KCNQ3KCNQ2TRPV1UBE2TMAPT |
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-2018098361-A1 | INHIBITORS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2018-05-31 | — | — | WO | disclosed |