Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | SLC5A2 | P31639 | 11/20 | 0.49 |
| ▸ | SLC5A1 | P13866 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.43 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.43 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL26851986 | 0.85 | SLC5A2 (0.66) | SLC5A2SLC5A1 | |
| SCHEMBL9132557 | 0.83 | SLC6A2 (0.42) | CYP3A4CYP2D6SLC5A2SLC5A1ALDH1A1 | |
| SCHEMBL27708998 | 0.81 | CYP3A4 (0.48) | CYP3A4CYP2D6SLC5A2SLC5A1ALDH1A1 | |
| SCHEMBL6781321 | 0.81 | KDM1A (0.43) | CYP3A4CYP2D6SLC5A2SLC5A1ALDH1A1 | |
| SCHEMBL4077148 | 0.81 | SLC5A2 (0.52) | CYP3A4CYP2D6SLC5A2SLC5A1ALDH1A1 | |
| SCHEMBL17662360 | 0.80 | SLC6A4 (0.41) | CYP3A4CYP2D6SLC5A2SLC5A1ALDH1A1 | |
| SCHEMBL10697599 | 0.80 | DRD2 (0.41) | CYP3A4CYP2D6SLC5A2SLC5A1ALDH1A1 | |
| SCHEMBL7409920 | 0.80 | MAPT (0.46) | ALDH1A1MAPTCYP2C9CYP2C19 | |
| SCHEMBL28712344 | 0.79 | SLC5A2 (0.73) | SLC5A2SLC5A1 | |
| SCHEMBL12241573 | 0.79 | SLC5A2 (0.49) | SLC5A2ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5871709-A | TETRAAZACYCLODODECANE COMPOUNDS SUBSTITUTED WITH ALKYL CARBOXY COMPOUNDS FOR CARDIOVASCULAR DISORDERS AND BRAIN TUMORS | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-02-16 | — | — | US | disclosed |
| EP-0485045-B1 | Mono-N-substituted 1,4,7,10-Tetraazacyclododecan-derivatives, process for their preparation and pharmaceutical agent containing them | SCHERING AG (DE) | 1998-12-30 | — | — | EP | disclosed |
| EP-0311926-B1 | Photopolymerisable composition | MORTON INT INC (US) | 1996-03-20 | — | — | EP | disclosed |
| US-5277895-A | Nuclear magnetic resonance | SCHERING AKTIENGESELLSCHAFT (DE) | 1994-01-11 | — | — | US | disclosed |
| EP-0485045-A2 | Mono-N-substituted 1,4,7,10-Tetraazacyclododecan-derivatives, process for their preparation and pharmaceutical agent containing them | SCHERING AKTIENGESELLSCHAFT (DE) | 1992-05-13 | — | — | EP | disclosed |
| EP-0311926-A2 | Photopolymerisable composition | MORTON INTERNATIONAL, INC. (US) | 1989-04-19 | — | — | EP | disclosed |