Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | PPM1B | O75688 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1700418 | 0.86 | SMN1; SMN2 (0.39) | ALDH1A1SMN1; SMN2TP53GAAKDM4E | |
| SCHEMBL1147987 | 0.86 | SMN1; SMN2 (0.39) | ALDH1A1SMN1; SMN2TP53GAAKDM4E | |
| SCHEMBL15341682 | 0.82 | DUT (0.32) | — | |
| SCHEMBL29132593 | 0.77 | SMN1; SMN2 (0.41) | ALDH1A1SMN1; SMN2TP53GAAPOLB | |
| SCHEMBL19456257 | 0.76 | SLC6A2 (0.31) | — | |
| SCHEMBL20983345 | 0.76 | SLC6A2 (0.31) | — | |
| SCHEMBL20983344 | 0.76 | SLC6A2 (0.31) | — | |
| SCHEMBL17374329 | 0.75 | CHRNB2 (0.39) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL15115983 | 0.74 | SMN1; SMN2 (0.41) | ALDH1A1SMN1; SMN2TP53GAAPOLB | |
| SCHEMBL3580736 | 0.74 | SMN1; SMN2 (0.41) | ALDH1A1SMN1; SMN2TP53GAAPOLB |
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-2884976-A2 | 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF | Merck Sharp & Dohme Corp. (US) | 2015-06-24 | — | — | EP | disclosed |
| WO-2014028597-A2 | 3-CYCLOHEXENYL AND CYCLOHEXYL SUBSTITUTED INDOLE AND INDAZOLE COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2014-02-20 | — | — | WO | disclosed |