Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | F13A1 | P00488 | 3/20 | 0.40 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.39 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.39 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10110930 | 0.87 | F13A1 (0.56) | TAAR1TSHRF13A1PTGER1PTGER4 | |
| SCHEMBL6207760 | 0.85 | TSHR (0.57) | TAAR1TSHRF13A1PTGER1PTGER4 | |
| SCHEMBL4131832 | 0.83 | HPGD (0.46) | TAAR1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1006607 | 0.79 | TSHR (0.58) | TAAR1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL6847212 | 0.79 | TAAR1 (0.52) | TAAR1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL11237534 | 0.79 | TAAR1 (0.55) | TAAR1TSHRNPC1RAB9A | |
| SCHEMBL10110932 | 0.79 | TAAR1 (0.71) | TAAR1MPO | |
| SCHEMBL30673617 | 0.78 | IDO1 (0.44) | MPOL3MBTL1MEN1KMT2A | |
| P-Xylene SCHEMBL6033011 | 0.78 | ALDH1A1 (0.50) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| P-Xylene SCHEMBL18427877 | 0.78 | ALDH1A1 (0.50) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2308872-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-04-13 | — | — | EP | disclosed |