Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.54 |
| ▸ | RXRA | P19793 | 1/20 | 0.47 |
| ▸ | RXRB | P28702 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | RAB9A | P51151 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.42 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8881676 | 0.89 | PPIA (0.49) | MAOBRXRARXRBSMN1; SMN2MRGPRX4 | |
| SCHEMBL8881837 | 0.89 | MAOB (0.53) | MAOBRXRARXRBMRGPRX4CYP2C9 | |
| SCHEMBL8883579 | 0.88 | MAOB (0.48) | MAOBRXRARXRBMRGPRX4CYP2C9 | |
| SCHEMBL8890310 | 0.88 | MRGPRX4 (0.52) | MAOBMRGPRX4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL8883498 | 0.88 | MAOB (0.48) | MAOBRXRARXRBCYP2C9CYP2C19 | |
| SCHEMBL8883572 | 0.86 | RXRA (0.48) | MAOBRXRARXRBMRGPRX4CYP2C9 | |
| SCHEMBL8882407 | 0.85 | MAOB (0.62) | MAOBRXRARXRBMRGPRX4CYP2C9 | |
| SCHEMBL8882705 | 0.85 | CYP2C9 (0.56) | MAOBCYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL8881322 | 0.84 | MAOB (0.48) | MAOBSMN1; SMN2TP53MRGPRX4CYP2C9 | |
| SCHEMBL27404312 | 0.81 | TSHR (0.52) | RXRASMN1; SMN2MRGPRX4CYP2C9CYP2C19 |
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-5658933-A | Substituted heterocyclic carboxamide esters, their preparation and their use as pharmaceuticals | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-08-19 | — | — | US | disclosed |