Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 13/20 | 0.53 |
| ▸ | MAOA | P21397 | 11/20 | 0.53 |
| ▸ | NISCH | Q9Y2I1 | 5/20 | 0.53 |
| ▸ | KDM1A | O60341 | 7/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.50 |
| ▸ | NAMPT | P43490 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8612775 | 1.00 | MAOB (0.53) | MAOBMAOANISCHKDM1ACYP2C19 | |
| SCHEMBL10540521 | 0.84 | MAOB (0.65) | MAOBMAOANISCHKDM1ACYP2C19 | |
| SCHEMBL8845464 | 0.84 | MAOB (0.65) | MAOBMAOANISCHKDM1ACYP2C19 | |
| SCHEMBL2261976 | 0.84 | MAOB (0.65) | MAOBMAOANISCHKDM1ACYP2C19 | |
| SCHEMBL21327042 | 0.77 | MAOB (0.50) | MAOBMAOANISCHKDM1ACYP2C19 | |
| SCHEMBL3612181 | 0.74 | PLG (0.52) | MAOBMAOANISCHKDM1ACYP3A4 | |
| SCHEMBL20495641 | 0.74 | MAOB (0.47) | MAOBMAOANISCHKDM1ACYP2C19 | |
| SCHEMBL12143646 | 0.73 | AAK1 (0.40) | MAOBMAOAKDM1ACYP2C19LMNA | |
| SCHEMBL20049508 | 0.73 | CYP1A2 (0.39) | MAOBMAOAKDM1ACYP2C19LMNA | |
| SCHEMBL13653892 | 0.73 | KDM1A (0.58) | MAOBMAOAKDM1ACYP2C19CYP2B6 |
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-5712285-A | Pyrrolo-pyridine derivatives | MERCK, SHARP & DOHME, LTD. (GB) | 1998-01-27 | — | — | US | disclosed |