Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.63 |
| ▸ | POLB | P06746 | 2/20 | 0.63 |
| ▸ | USP2 | O75604 | 2/20 | 0.63 |
| ▸ | NPC1 | O15118 | 6/20 | 0.55 |
| ▸ | RAB9A | P51151 | 5/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6605684 | 0.85 | NPC1 (0.47) | TSHRPOLBUSP2NPC1RAB9A | |
| SCHEMBL6404013 | 0.84 | ALDH1A1 (0.57) | TSHRPOLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL18348889 | 0.81 | TSHR (0.67) | TSHRPOLBUSP2NPC1RAB9A | |
| SCHEMBL13572955 | 0.78 | TSHR (0.73) | TSHRPOLBUSP2NPC1RAB9A | |
| SCHEMBL17149743 | 0.78 | POLB (0.63) | TSHRPOLBUSP2NPC1RAB9A | |
| SCHEMBL6605152 | 0.78 | POLB (0.63) | TSHRPOLBUSP2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL17142044 | 0.77 | POLB (0.61) | TSHRPOLBUSP2NPC1RAB9A | |
| SCHEMBL16509727 | 0.76 | TSHR (0.69) | TSHRPOLBUSP2NPC1RAB9A | |
| SCHEMBL13899427 | 0.75 | TSHR (0.73) | TSHRPOLBUSP2NPC1RAB9A | |
| SCHEMBL3423891 | 0.75 | TSHR (0.73) | TSHRPOLBUSP2NPC1RAB9A |
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-1411933-A1 | ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS | SmithKline Beecham Corporation (US) | 2004-04-28 | — | — | EP | disclosed |
| WO-2003013518-A1 | ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-02-20 | — | — | WO | disclosed |