Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.67 |
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | KIF11 | P52732 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 2/20 | 0.42 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8605570 | 0.94 | TAAR1 (0.74) | TAAR1MAOATHRBIDO1CYP3A4 | |
| SCHEMBL8502036 | 0.93 | TAAR1 (0.71) | TAAR1MAOATHRBIDO1CYP3A4 | |
| SCHEMBL9848072 | 0.93 | TAAR1 (0.71) | TAAR1MAOATHRBIDO1CYP3A4 | |
| SCHEMBL2673980 | 0.89 | TAAR1 (0.77) | TAAR1MAOATHRBIDO1CYP3A4 | |
| Hydrochloric Acid SCHEMBL1028929 | 0.87 | TAAR1 (0.74) | TAAR1MAOATHRBIDO1CYP3A4 | |
| SCHEMBL8092500 | 0.84 | TAAR1 (0.68) | TAAR1IDO1HRH3 | |
| SCHEMBL8086943 | 0.82 | TAAR1 (0.65) | TAAR1IDO1HRH3HDAC3HDAC1 | |
| SCHEMBL8093918 | 0.82 | TAAR1 (0.65) | TAAR1IDO1HRH3HDAC3HDAC1 | |
| SCHEMBL8095693 | 0.82 | TAAR1 (0.65) | TAAR1IDO1HRH3HDAC3HDAC1 | |
| SCHEMBL8101532 | 0.82 | TAAR1 (0.65) | TAAR1IDO1HRH3HDAC3HDAC1 |
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 |