Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL7439917 | 0.86 | PDE4A (0.43) | KMT2ANPSR1HPGDCYP2C9CYP2C19 | |
| SCHEMBL3862907 | 0.72 | CYP2C9 (0.66) | KMT2AALDH1A1CYP2C9CYP2C19LMNA | |
| SCHEMBL14260770 | 0.72 | CYP2C9 (0.60) | KMT2AALDH1A1CYP2C9CYP2C19LMNA | |
| SCHEMBL9448534 | 0.70 | PARP10 (0.56) | TSHR | |
| SCHEMBL31530613 | 0.68 | KDM4E (0.58) | KMT2AALDH1A1LMNATSHRHTT | |
| SCHEMBL7430668 | 0.67 | NPSR1 (0.47) | KMT2ANPSR1ALDH1A1HPGDCYP2C9 | |
| SCHEMBL9787345 | 0.66 | DRD3 (0.38) | KMT2AALDH1A1HPGDCYP2C9CYP2C19 | |
| SCHEMBL7438756 | 0.66 | ALDH1A1 (0.45) | KMT2ANPSR1ALDH1A1HPGDCYP2C9 | |
| SCHEMBL3819558 | 0.65 | CYP11B1 (0.51) | CHRNB2CHRNA4 | |
| SCHEMBL276284 | 0.65 | CYP1A2 (0.56) | KMT2ANPSR1ALDH1A1HPGDCYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4999365-A | Preventing damage which occurs to heart tissue when oxygen is reintroduced after a heart attack | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-03-12 | — | — | US | disclosed |
| EP-0284925-A2 | Use of imidazol-2-thiones for the preparation of a medicament for reducing myocardial stunning | MERRELL DOW PHARMACEUTICALS INC. (US) | 1988-10-05 | — | — | EP | disclosed |