Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.55 |
| ▸ | HTR2C | P28335 | 2/20 | 0.55 |
| ▸ | HTR2B | P41595 | 2/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.39 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.39 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.39 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.39 |
| ▸ | TUBB3 | Q13509 | 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 | |
|---|---|---|---|---|
| SCHEMBL12963223 | 0.84 | AR (0.54) | HTR2AHTR2CHTR2BPTGS2ACHE | |
| SCHEMBL9832718 | 0.82 | PTGS2 (0.44) | HTR2AHTR2CHTR2BPTGS2ACHE | |
| SCHEMBL5212092 | 0.80 | KDM4E (0.53) | ACHEMAPTCA9CYP19A1AR | |
| SCHEMBL8351063 | 0.79 | PTGS2 (0.54) | HTR2AHTR2CHTR2BPTGS2ACHE | |
| Hydrochloric Acid SCHEMBL19462138 | 0.78 | KDM4E (0.52) | ACHEMAPTCA9CYP19A1AR | |
| SCHEMBL9111455 | 0.78 | PTGS2 (0.47) | HTR2AHTR2CHTR2BPTGS2ACHE | |
| SCHEMBL12932841 | 0.74 | PTGS2 (0.44) | HTR2AHTR2CHTR2BPTGS2ACHE | |
| SCHEMBL5843051 | 0.74 | ALDH1A1 (0.51) | CYP1A2 | |
| SCHEMBL2545682 | 0.73 | ACHE (0.56) | HTR2AHTR2CHTR2BPTGS2ACHE | |
| SCHEMBL5094631 | 0.73 | ACHE (0.56) | PTGS2ACHECYP1A2CYP3A4MAPT |
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-4415591-A | MIXTURE WITH A MONOAMINE OXIDASE | GEORGIA TECH RESEARCH INSTITUTE (US) | 1983-11-15 | — | — | US | disclosed |