Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | TPMT | P51580 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL2585612 | 1.00 | TSHR (0.53) | TSHRCA12CA1CA2CA4 | |
| SCHEMBL2592303 | 1.00 | TSHR (0.53) | TSHRCA12CA1CA2CA4 | |
| SCHEMBL13125279 | 0.86 | MRGPRX4 (0.46) | MRGPRX4RAB9ADPP4LMNAMEN1 | |
| SCHEMBL16174385 | 0.82 | ACHE (0.44) | TSHRCA2HTTRAB9AMAPK1 | |
| SCHEMBL8693995 | 0.81 | RARA (0.49) | MAPK1LMNAMEN1KMT2AKDM4E | |
| SCHEMBL28343556 | 0.81 | DRD4 (0.41) | CA2MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL1964361 | 0.80 | CA2 (0.43) | TSHRCA2PLA2G4BRAB9AMAPK1 | |
| SCHEMBL21197731 | 0.80 | CA2 (0.43) | TSHRCA2PLA2G4BRAB9AMAPK1 | |
| SCHEMBL1966013 | 0.80 | CA2 (0.43) | TSHRCA2PLA2G4BRAB9AMAPK1 | |
| SCHEMBL9068671 | 0.79 | CA12 (0.59) | TSHRCA12CA1CA2CA4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2595989-A1 | HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2013-05-29 | — | — | EP | disclosed |
| WO-2013067248-A1 | BENZOXAZINES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-10 | — | — | WO | disclosed |
| WO-2011140425-A1 | HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-11-10 | — | — | WO | disclosed |