Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.41 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.39 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 2/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8597114 | 0.82 | IKBKB (0.39) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL27687344 | 0.76 | PARP1 (0.45) | BCAT2EPHX1KDM4EALDH1A1MAPT | |
| SCHEMBL16547304 | 0.76 | SLC6A2 (0.45) | CYP2D6PKMTSHRTRPA1 | |
| SCHEMBL7263509 | 0.74 | FOLH1 (0.48) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL17374631 | 0.74 | IRAK4 (0.47) | CYP2D6BCAT2KDM4EALDH1A1MAPT | |
| SCHEMBL3681104 | 0.74 | CYP1A2 (0.53) | CYP1A2CYP2D6PKMSMN1; SMN2NPSR1 | |
| SCHEMBL28845213 | 0.73 | KDM4E (0.47) | PKMBCAT2EPHX1FOLH1KDM4E | |
| Carbamic Acid SCHEMBL7780891 | 0.73 | BCAT2 (0.44) | PKMBCAT2EPHX1FOLH1KDM4E | |
| Carbamic Acid SCHEMBL7455331 | 0.73 | BCAT2 (0.44) | PKMBCAT2EPHX1FOLH1KDM4E | |
| SCHEMBL42486 | 0.72 | NOS3 (0.59) | CYP1A2PKMNPSR1BCAT2KDM4E |
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-1077942-A1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | Aventis Pharmaceuticals Inc. (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999059972-A1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMACEUTICALS INC. (US) | 1999-11-25 | — | — | WO | disclosed |