Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 4/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.38 |
| ▸ | ME2 | P23368 | 1/20 | 0.36 |
| ▸ | ME1 | P48163 | 1/20 | 0.36 |
| ▸ | ME3 | Q16798 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27756446 | 0.74 | NPC1 (0.38) | CES1POLBSMN1; SMN2TSHRNPC1 | |
| SCHEMBL5458568 | 0.73 | TAAR1 (0.46) | TAAR1TRPM8ADRA2AADRA2BADRA2C | |
| SCHEMBL27526772 | 0.69 | RAB9A (0.43) | CES1FAAHSMN1; SMN2NPC1RAB9A | |
| SCHEMBL1309062 | 0.67 | — | — | |
| SCHEMBL7332254 | 0.66 | TAAR1 (0.54) | TAAR1ADRA2AADRA2BADRA2CPOLB | |
| SCHEMBL10668826 | 0.66 | TAAR1 (0.54) | TAAR1TRPM8ADRA2AADRA2BADRA2C | |
| SCHEMBL2030841 | 0.66 | TAAR1 (0.71) | TAAR1ADRA2AADRA2BADRA2CPOLB | |
| SCHEMBL5759825 | 0.66 | TRPM8 (0.39) | TAAR1TRPM8POLBSMN1; SMN2NPC1 | |
| SCHEMBL654985 | 0.65 | POLB (0.66) | TAAR1ADRA2AADRA2BADRA2CPOLB | |
| SCHEMBL6197785 | 0.65 | TAAR1 (0.52) | TAAR1ADRA2AADRA2BADRA2CPOLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-1764651-A | Quinazoline derivatives as antitumor agents | ASTRAZENECA AB (SE) | 2006-04-26 | — | — | CN | disclosed |