Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 4/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL713746 | 0.75 | TSHR (0.44) | TAAR1TSHRLMNABCHEACHE | |
| SCHEMBL23888486 | 0.74 | TAAR1 (0.42) | TAAR1TSHRLMNABCHEACHE | |
| SCHEMBL3139589 | 0.72 | TAAR1 (0.46) | TAAR1TSHRLMNABCHEACHE | |
| SCHEMBL22018700 | 0.72 | TSHR (0.52) | TAAR1TSHRLMNABCHEACHE | |
| SCHEMBL14739617 | 0.71 | LMNA (0.45) | TAAR1TSHRLMNABCHEACHE | |
| SCHEMBL715660 | 0.70 | LMNA (0.57) | TAAR1TSHRLMNAHRH4HRH3 | |
| SCHEMBL153049 | 0.70 | LMNA (0.57) | TAAR1TSHRLMNAHRH4HRH3 | |
| SCHEMBL24026333 | 0.70 | TAAR1 (0.38) | TAAR1TSHRLMNAHRH4HRH3 | |
| SCHEMBL306297 | 0.70 | LMNA (0.57) | TAAR1TSHRLMNAHRH4HRH3 | |
| SCHEMBL1613917 | 0.69 | TSHR (0.48) | TAAR1TSHRLMNABCHEACHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018119284-A1 | ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF | CALITHERA BIOSCIENCES, INC. (US) | 2018-06-28 | — | — | WO | disclosed |
| WO-2018049145-A1 | ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF | CALITHERA BIOSCIENCES, INC. (US) | 2018-03-15 | — | — | WO | disclosed |