Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 8/20 | 0.63 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.50 |
| ▸ | CYP11B2 | P19099 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL15792058 | 0.86 | SRD5A1 (0.49) | NOTUMCYP11B1CYP11B2ALDH1A1HPGD | |
| SCHEMBL7833255 | 0.86 | NOTUM (0.65) | NOTUMCYP11B1CYP11B2ALDH1A1HPGD | |
| SCHEMBL16749906 | 0.85 | NOTUM (0.63) | NOTUMCYP11B1CYP11B2ALDH1A1HPGD | |
| SCHEMBL8813839 | 0.81 | NOTUM (0.58) | NOTUMCYP11B1CYP11B2ALDH1A1HPGD | |
| SCHEMBL14321529 | 0.81 | GPR119 (0.46) | NOTUMKDM4ESRD5A1 | |
| SCHEMBL21411228 | 0.78 | SRD5A1 (0.47) | NOTUMALDH1A1HPGDKDM4ETP53 | |
| SCHEMBL28029098 | 0.78 | SRD5A1 (0.44) | NOTUMALDH1A1HPGDKDM4ERECQL | |
| SCHEMBL6646303 | 0.78 | ALDH1A1 (0.64) | NOTUMCYP11B2ALDH1A1HPGDKDM4E | |
| SCHEMBL423295 | 0.78 | NOTUM (1.00) | NOTUMCYP11B1CYP11B2ALDH1A1HPGD | |
| SCHEMBL6072422 | 0.78 | NOTUM (0.73) | NOTUMCYP11B1CYP11B2ALDH1A1HPGD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0431943-B1 | Spiro(pyran)piperidine derivatives | MERCK & CO INC (US) | 1998-07-15 | — | — | EP | disclosed |
| US-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| CN-1110685-A | Nitrogen-containing spiro ring | MERCK & CO INC (US) | 1995-10-25 | — | — | CN | disclosed |
| US-5206240-A | Antiarrhythmia agents | MERCK & CO., INC. (US) | 1993-04-27 | — | — | US | disclosed |
| CN-1053613-A | Nitrogen-containing spiro ring | MERCK & CO INC (US) | 1991-08-07 | — | — | CN | disclosed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |