Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 4/20 | 0.49 |
| ▸ | CTSK | P43235 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | ATM | Q13315 | 2/20 | 0.48 |
| ▸ | JAK2 | O60674 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.42 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.42 |
| ▸ | NCOA3 | Q9Y6Q9 | 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 | |
|---|---|---|---|---|
| SCHEMBL8892245 | 1.00 | CTSS (0.49) | CTSSCTSKALDH1A1NPSR1ATM | |
| SCHEMBL7435053 | 0.92 | CTSS (0.45) | CTSSCTSKALDH1A1NPSR1ATM | |
| SCHEMBL7435046 | 0.92 | CTSS (0.45) | CTSSCTSKALDH1A1NPSR1ATM | |
| SCHEMBL7283432 | 0.92 | KLK5 (0.47) | CTSSCTSKALDH1A1NPSR1ATM | |
| SCHEMBL5142842 | 0.92 | KLK5 (0.47) | CTSSCTSKALDH1A1NPSR1ATM | |
| SCHEMBL7398818 | 0.92 | KLK5 (0.47) | CTSSCTSKALDH1A1NPSR1ATM | |
| SCHEMBL7796450 | 0.92 | KLK5 (0.47) | CTSSCTSKALDH1A1NPSR1ATM | |
| SCHEMBL6305846 | 0.92 | KLK5 (0.47) | CTSSCTSKALDH1A1NPSR1ATM | |
| SCHEMBL6446803 | 0.92 | KLK5 (0.47) | CTSSCTSKALDH1A1NPSR1ATM | |
| SCHEMBL9546500 | 0.90 | NPSR1 (0.47) | CTSSCTSKALDH1A1NPSR1ATM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5643878-A | TREATMENT OF RETROVIRAL DISEASES LIKE AIDS | CIBA-GEIGY CORPORATION (US) | 1997-07-01 | — | — | US | disclosed |
| WO-1996016980-A1 | MORPHOLINOETHYLAMIDE DERIVATIVES | NOVARTIS AG (CH) | 1996-06-06 | — | — | WO | disclosed |
| EP-0618222-A2 | Dipeptid derivatives of 5-amino-4-hydroxy-hexanoic acid | CIBA-GEIGY AG (CH) | 1994-10-05 | — | — | EP | disclosed |