Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 6/20 | 1.00 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | AXL | P30530 | 1/20 | 0.50 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.50 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.50 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.50 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30144068 | 0.80 | CYP19A1 (0.67) | CYP19A1ALDH1A1KDM4ESMN1; SMN2HPGD | |
| SCHEMBL3765867 | 0.80 | CYP19A1 (0.67) | CYP19A1MAPTALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL9230808 | 0.80 | CYP19A1 (0.67) | CYP19A1MAPTALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL30585815 | 0.80 | CYP19A1 (0.67) | CYP19A1MAPTALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL9147912 | 0.80 | CYP19A1 (0.67) | CYP19A1ALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL6529695 | 0.80 | CYP19A1 (0.67) | CYP19A1MAPTALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL10437158 | 0.80 | CYP19A1 (0.67) | CYP19A1ALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL25083884 | 0.76 | CYP19A1 (0.61) | CYP19A1MAPTALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL9151725 | 0.76 | CYP19A1 (0.61) | CYP19A1ALDH1A1KDM4ESMN1; SMN2LMNA | |
| SCHEMBL30143967 | 0.76 | CYP19A1 (0.61) | CYP19A1ALDH1A1KDM4ESMN1; SMN2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6114537-A | 1,2,4-THIADIAZOLE COMPOUND IS USEFUL FOR TRAPPING THIOL COMPOUNDS AND SELECTIVELY CHANGING THIOLS TO DISULFIDE COMPOUNDS | APOTEX INC. (CA) | 2000-09-05 | — | — | US | disclosed |