Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.53 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.50 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.50 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | FDPS | P14324 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL78906 | 0.94 | TAAR1 (0.59) | TAAR1CYP4F2CYP4A11SLC5A2HRH3 | |
| SCHEMBL30528053 | 0.94 | TAAR1 (0.59) | TAAR1CYP4F2CYP4A11SLC5A2HRH3 | |
| SCHEMBL5303210 | 0.89 | TAAR1 (0.57) | TAAR1CYP4F2CYP4A11SLC5A2HRH3 | |
| SCHEMBL3504070 | 0.87 | TAAR1 (0.55) | TAAR1CYP4F2CYP4A11SLC5A2HRH3 | |
| SCHEMBL12821195 | 0.87 | TAAR1 (0.55) | TAAR1CYP4F2CYP4A11SLC5A2HRH3 | |
| Pyrazine SCHEMBL27797318 | 0.86 | TAAR1 (0.50) | TAAR1CYP4F2CYP4A11SLC5A2HRH3 | |
| Butyl Alcohol SCHEMBL27857142 | 0.84 | TAAR1 (0.52) | TAAR1CYP4F2CYP4A11SLC5A2HRH3 | |
| SCHEMBL30203725 | 0.82 | TAAR1 (0.63) | TAAR1CYP4F2CYP4A11SLC5A2HRH3 | |
| SCHEMBL296315 | 0.82 | TAAR1 (0.63) | TAAR1CYP4F2CYP4A11SLC5A2HRH3 | |
| SCHEMBL8092500 | 0.82 | TAAR1 (0.68) | TAAR1SLC5A2HRH3IDO1DAO |
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 |
|---|---|---|---|---|---|---|---|
| US-5021429-A | Histamine h2-antagonists; antisecretory-antiallergen agent; skin disorders and peptic ulcers | ALLEN & HANSBURYS LIMITED (GB) | 1991-06-04 | — | — | US | disclosed |