Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.41 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.39 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.39 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.39 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.39 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29457581 | 0.87 | LMNA (0.51) | KDM1AHDAC1HDAC6BCHENOTUM | |
| SCHEMBL641007 | 0.87 | LMNA (0.51) | KDM1AHDAC1HDAC6BCHENOTUM | |
| SCHEMBL29960283 | 0.83 | KDM1A (0.48) | KDM1AHDAC1HDAC6BCHENOTUM | |
| SCHEMBL14380662 | 0.83 | KDM1A (0.48) | KDM1AHDAC1HDAC6BCHENOTUM | |
| SCHEMBL2335054 | 0.83 | KDM1A (0.48) | KDM1AHDAC1HDAC6BCHENOTUM | |
| SCHEMBL552069 | 0.80 | NOTUM (0.61) | KDM1ANOTUMRAB9A | |
| SCHEMBL30900483 | 0.80 | NOTUM (0.61) | KDM1ANOTUMRAB9A | |
| SCHEMBL30667212 | 0.78 | NOTUM (0.64) | KDM1AHDAC1HDAC6BCHENOTUM | |
| SCHEMBL7004709 | 0.78 | NOTUM (0.64) | KDM1AHDAC1HDAC6BCHENOTUM | |
| SCHEMBL23063791 | 0.76 | NOTUM (0.64) | KDM1AHDAC1HDAC6BCHENOTUM |
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-2220061-B1 | SPIRO-CONDENSED 1, 3, 4-THIADIAZOLE DERIVATIVES FOR INHIBITING KSP KINESIN ACTIVITY | MERCK SHARP & DOHME (US) | 2016-02-17 | — | — | EP | disclosed |
| WO-2009052288-A1 | SPIRO-CONDENSED 1, 3, 4-THIADIAZOLE DERIVATIVES FOR INHIBITING KSP KINESIN ACTIVITY | SCHERING CORPORATION (US) | 2009-04-23 | — | — | WO | disclosed |