Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRB | P28702 | 2/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 6/20 | 0.41 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2997583 | 0.75 | RXRB (0.46) | RXRBNR1H4RXRATDP1ALDH1A1 | |
| SCHEMBL2806543 | 0.72 | RXRB (0.59) | RXRBNR1H4RXRATDP1ALDH1A1 | |
| SCHEMBL30295343 | 0.72 | RXRB (0.59) | RXRBNR1H4RXRATDP1ALDH1A1 | |
| SCHEMBL162565 | 0.72 | RXRB (0.69) | RXRBNR1H4RXRATDP1EPHX2 | |
| SCHEMBL17908058 | 0.71 | RXRB (0.57) | RXRBNR1H4RXRATDP1ALDH1A1 | |
| SCHEMBL838388 | 0.71 | CYP2D6 (0.40) | ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL4896201 | 0.71 | CYP2D6 (0.40) | ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10048583 | 0.71 | CYP2D6 (0.40) | ALDH1A1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL28191970 | 0.70 | RXRB (0.58) | RXRBNR1H4RXRATDP1ALDH1A1 | |
| SCHEMBL863182 | 0.68 | ALDH1A1 (0.37) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008119162-A1 | METHODS OF PREPARING PRIMARY, SECONDARY AND TERTIARY CARBINAMINE COMPOUNDS IN THE PRESENCE OF AMMONIA | KANATA CHEMICAL TECHNOLOGIES INC. (CA) | 2008-10-09 | — | — | WO | disclosed |