Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 9/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10400049 | 0.76 | EPHX1 (0.41) | HTR2BCYP3A4 | |
| SCHEMBL10400517 | 0.76 | EPHX1 (0.41) | HTR2BCYP3A4 | |
| SCHEMBL10034792 | 0.76 | EPHX1 (0.41) | HTR2BCYP3A4 | |
| SCHEMBL6109677 | 0.76 | EPHX1 (0.41) | HTR2BCYP3A4 | |
| SCHEMBL10400398 | 0.74 | ALDH1A1 (0.39) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL3756817 | 0.74 | SLC6A4 (0.46) | SLC6A4SLC6A2SLC6A3KDM4EPLAU | |
| SCHEMBL30717243 | 0.72 | SLC6A4 (0.45) | SLC6A4SLC6A2SLC6A3KDM4EPLAU | |
| SCHEMBL5852700 | 0.72 | SLC6A4 (0.45) | SLC6A4SLC6A2SLC6A3KDM4EPLAU | |
| SCHEMBL845627 | 0.72 | SLC6A4 (0.45) | SLC6A4SLC6A2SLC6A3KDM4EPLAU | |
| SCHEMBL10400428 | 0.71 | RAB9A (0.38) | SLC6A4SLC6A2SLC6A3KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4937331-A | Chemical intermediates for antibiotics | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1990-06-26 | — | — | US | disclosed |
| EP-0334593-A1 | Chiral azetidinone epoxides | THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1989-09-27 | — | — | EP | disclosed |