Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK4 | Q16654 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 2/20 | 0.37 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.37 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2594758 | 1.00 | PDK4 (0.42) | PDK4GPR119TSHRALOX15ATM | |
| SCHEMBL12180395 | 1.00 | PDK4 (0.42) | PDK4GPR119TSHRALOX15ATM | |
| SCHEMBL21397530 | 0.84 | HDAC3 (0.45) | PDK4GPR119TSHRALOX15ATM | |
| SCHEMBL2588219 | 0.84 | POLB (0.43) | GPR119AVPR1ASCD5 | |
| SCHEMBL12180668 | 0.84 | POLB (0.43) | GPR119AVPR1ASCD5 | |
| SCHEMBL2592595 | 0.83 | HDAC3 (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL2592588 | 0.83 | HDAC3 (0.39) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL2585516 | 0.81 | KMT2A (0.47) | ALOX15AVPR1AHDAC3HDAC4HDAC1 | |
| SCHEMBL2585524 | 0.81 | KMT2A (0.47) | ALOX15AVPR1AHDAC3HDAC4HDAC1 | |
| SCHEMBL12180373 | 0.81 | KMT2A (0.47) | ALOX15AVPR1AHDAC3HDAC4HDAC1 |
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 |