Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PGK1 | P00558 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 5/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.33 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.32 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7000231 | 0.82 | TDP1 (0.36) | ALDH1A1CYP3A4LMNACYP1A2CYP2C9 | |
| SCHEMBL6997153 | 0.82 | CYP1A2 (0.34) | CYP1A2CYP2C9CYP2C19MAPTMEN1 | |
| SCHEMBL6991149 | 0.75 | NOS3 (0.48) | ALDH1A1CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL7710726 | 0.73 | ALDH1A1 (0.45) | ALDH1A1CYP3A4LMNAMAPTMEN1 | |
| SCHEMBL8118541 | 0.71 | NOS3 (0.42) | ALDH1A1CYP3A4LMNAMAPTMEN1 | |
| SCHEMBL7000074 | 0.70 | TDP1 (0.43) | ALDH1A1MAPTMEN1KMT2ATSHR | |
| SCHEMBL5670575 | 0.70 | ESR1 (0.35) | — | |
| SCHEMBL7985549 | 0.69 | MAPT (0.43) | ALDH1A1CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL7989336 | 0.69 | MAPT (0.43) | ALDH1A1CYP3A4MAPTMEN1KMT2A | |
| SCHEMBL7000113 | 0.69 | PARP1 (0.44) | ALDH1A1CYP3A4AKR1B1LMNAMEN1 |
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-6365736-B1 | TREATMENT OF NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISORDERS AND FOR ACTIVITY AS NO-SYNTHASES (NOS) INHIBITORS. | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-04-02 | — | — | US | disclosed |