Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | HTR2B | P41595 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | PCNA | P12004 | 1/20 | 0.43 |
| ▸ | LIG1 | P18858 | 1/20 | 0.43 |
| ▸ | TUBB4A | P04350 | 4/20 | 0.42 |
| ▸ | TUBB | P07437 | 4/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 4/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 4/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 4/20 | 0.42 |
| ▸ | TUBB4B | P68371 | 4/20 | 0.42 |
| ▸ | TUBB3 | Q13509 | 4/20 | 0.42 |
| ▸ | TUBB2A | Q13885 | 4/20 | 0.42 |
| ▸ | TUBB8 | Q3ZCM7 | 4/20 | 0.42 |
| ▸ | TUBA3E | Q6PEY2 | 4/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10772081 | 1.00 | HTR2A (0.50) | HTR2AHTR2CHTR2BPTGS2CYP3A4 | |
| SCHEMBL28035207 | 0.90 | CYP3A4 (0.41) | HTR2AHTR2CHTR2BPTGS2CYP3A4 | |
| SCHEMBL28035206 | 0.90 | CYP3A4 (0.41) | HTR2AHTR2CHTR2BPTGS2CYP3A4 | |
| SCHEMBL1983133 | 0.84 | HTR2A (0.56) | HTR2AHTR2CHTR2BPTGS2CYP3A4 | |
| SCHEMBL20970858 | 0.84 | PTGS2 (0.57) | HTR2AHTR2CHTR2BPTGS2AOC3 | |
| SCHEMBL30254724 | 0.82 | HTR2A (0.50) | HTR2AHTR2CHTR2BPTGS2CYP3A4 | |
| SCHEMBL10776070 | 0.81 | LDHA (0.58) | CYP3A4CYP19A1MMP1 | |
| SCHEMBL7298435 | 0.81 | LDHA (0.58) | CYP3A4CYP19A1MMP1 | |
| Hydrochloric Acid SCHEMBL30255062 | 0.81 | HTR2A (0.49) | HTR2AHTR2CHTR2BPTGS2AOC3 | |
| SCHEMBL7290411 | 0.81 | LDHA (0.58) | CYP3A4CYP19A1MMP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0229944-A2 | Novel tetrahydroisoquinoline derivatives | SYNTEX (U.S.A.) INC. (US) | 1987-07-29 | — | — | EP | disclosed |
| US-4681889-A | ANGINA, HYPERTENSION, CONGESTIVE HEART FAILURE | SYNTEX (U.S.A.) INC. (US) | 1987-07-21 | — | — | US | disclosed |
| US-4613606-A | CARDIOVASCULAR DISORDERS | SYNTEX (U.S.A.) INC. (US) | 1986-09-23 | — | — | US | disclosed |