Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 11/20 | 0.35 |
| ▸ | MAOA | P21397 | 10/20 | 0.35 |
| ▸ | KDM1A | O60341 | 5/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL546334 | 0.81 | NOS1 (0.48) | NOS1NOS2MAOBMAOAKDM1A | |
| SCHEMBL4751341 | 0.81 | NOS1 (0.48) | NOS1NOS2MAOBMAOAKDM1A | |
| SCHEMBL3115176 | 0.81 | NOS1 (0.48) | NOS1NOS2MAOBMAOAKDM1A | |
| SCHEMBL186274 | 0.75 | NOS1 (0.52) | NOS1NOS2MAOBMAOAKDM1A | |
| SCHEMBL8542775 | 0.73 | NOS1 (0.50) | NOS1NOS2MAOBMAOAKDM1A | |
| SCHEMBL3173918 | 0.73 | NOS1 (0.50) | NOS1NOS2MAOBMAOAKDM1A | |
| SCHEMBL8648535 | 0.70 | MAOB (0.38) | NOS1NOS2AKR1C3AKR1C1MAOB | |
| SCHEMBL9512625 | 0.69 | AKR1C3 (0.48) | AKR1C3AKR1C1 | |
| SCHEMBL1749974 | 0.69 | NOS1 (0.44) | NOS1NOS2AKR1C3AKR1C1MAOB | |
| SCHEMBL7765323 | 0.67 | ALDH1A1 (0.41) | NOS1NOS2MAOBMAOACYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1112266-A1 | SUBSTITUTED 4-AMINO-2-ARYL-PYRIMIDINES, THEIR PRODUCTION AND USE AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME | Aventis Pharma Deutschland GmbH (DE) | 2001-07-04 | — | — | EP | disclosed |
| WO-2000009496-A1 | SUBSTITUTED 4-AMINO-2-ARYL-PYRIMIDINES, THEIR PRODUCTION AND USE AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2000-02-24 | — | — | WO | disclosed |