Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.35 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.34 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 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 | |
|---|---|---|---|---|
| SCHEMBL3821881 | 0.86 | GRIA2 (0.39) | NPC1RXFP1GRIA2P2RX7TP53 | |
| SCHEMBL3822972 | 0.80 | NPC1 (0.46) | NPC1RXFP1GRIA2TP53PKM | |
| SCHEMBL3823523 | 0.77 | GRM5 (0.41) | NPC1RXFP1GRIA2P2RX7CYP11B1 | |
| SCHEMBL30936174 | 0.76 | CYP11B1 (0.49) | NPC1RXFP1GRIA2TP53PKM | |
| SCHEMBL3821944 | 0.75 | KIF11 (0.40) | NPC1RXFP1GRIA2P2RX7CYP11B1 | |
| SCHEMBL7855627 | 0.75 | SCN9A (0.35) | KCNH2BACE1 | |
| SCHEMBL1122006 | 0.75 | IDO1 (0.48) | SMN1; SMN2KCNH2BACE1 | |
| SCHEMBL29953348 | 0.75 | IDO1 (0.48) | SMN1; SMN2KCNH2BACE1 | |
| SCHEMBL6852510 | 0.74 | ADRB2 (0.36) | — | |
| SCHEMBL20468884 | 0.73 | GRM5 (0.40) | NPC1RXFP1GRIA2KCNH2BACE1 |
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-2091937-A2 | SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS | Merck & Co., Inc. (US) | 2009-08-26 | — | — | EP | disclosed |
| WO-2008051406-A2 | SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS | MERCK & CO., INC. (US) | 2008-05-02 | — | — | WO | disclosed |