Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 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 | |
|---|---|---|---|---|
| SCHEMBL15525131 | 0.87 | PTGS2 (0.35) | XDHMEN1KMT2ACYP2C9CYP2C19 | |
| SCHEMBL15525083 | 0.83 | KDM4E (0.40) | KMT2ACYP2C9CYP2C19HSD17B10ALDH1A1 | |
| SCHEMBL15525111 | 0.74 | KDM4E (0.32) | KMT2AALDH1A1MAPK1SMN1; SMN2TDP1 | |
| SCHEMBL16517811 | 0.73 | L3MBTL1 (0.44) | ALDH1A1EGLN1 | |
| SCHEMBL7920908 | 0.72 | TTR (0.44) | XDHMEN1KMT2ACYP2C9MAOB | |
| SCHEMBL16533801 | 0.67 | KDM4E (0.40) | HSD17B10ALDH1A1SMN1; SMN2PKMMAPT | |
| SCHEMBL30829604 | 0.67 | MYC (0.40) | XDHMEN1KMT2AHSD17B10ALDH1A1 | |
| SCHEMBL31347270 | 0.67 | KDM4E (0.40) | MEN1KMT2ACYP2C9CYP2C19HSD17B10 | |
| SCHEMBL26105200 | 0.67 | KDM4E (0.40) | MEN1KMT2ACYP2C9CYP2C19HSD17B10 | |
| SCHEMBL16046019 | 0.66 | PIK3CB (0.33) | — |
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-2021087087-A1 | N-CYCLOHEXYL-5-(THIAZOL-5-YL)-1H-INDOLE-7-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS CD38 INHIBITORS FOR INCREASING NAD+ AND FOR THE TREATMENT OF E.G. MUSCULAR DISORDERS | MITOBRIDGE INC. (US) | 2021-05-06 | — | — | WO | disclosed |